diff --git a/src/cluster/cluster.cpp b/src/cluster/cluster.cpp
index 8195ce0932a685ad0f41b5e01aec0058a632add7..742cc6fdd5e1da4ef92c2a28ec636ceb478985b8 100644
--- a/src/cluster/cluster.cpp
+++ b/src/cluster/cluster.cpp
@@ -4,6 +4,7 @@
*
* \brief Implementation of the calculation for a cluster of spheres.
*/
+#include <chrono>
#include <cstdio>
#include <exception>
#include <fstream>
@@ -52,7 +53,7 @@ using namespace std;
// I would like to put it all in a struct, but then I'd have to write a constructor for it, due to members defined as references, creating a worse nightmare than the one I'd like to simplify...
-int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, C1 *c1, C1_AddOns *c1ao, C2 *c2, C3 *c3, C4 *c4, C6 *c6, C9 *c9, FILE *output, string output_path, double *gaps, double **tqse, dcomplex **tqspe, double **tqss, dcomplex **tqsps, double ****zpv, double **gapm, dcomplex **gappm, int nth, int nths, int nph, int nphs, int nk, int nks, int nkks, double *argi, double *args, double **gap, dcomplex **gapp, double **tqce, dcomplex **tqcpe, double **tqcs, dcomplex **tqcps, double *duk, fstream &tppoan, double **cextlr, double **cext, double **cmullr, double **cmul, double *gapv, double *tqev, double *tqsv, int nxi, int nsph, np_int mxndm, int inpol, int iavm, int npnt, int npntts, int isam, int lm, double th, double thstp, double thlst, double ths, double thsstp, double thslst, double ph, double phstp, double phlst, double phs, double phsstp, double phslst, double th1, double ph1, double ths1, double phs1, double thsca, double *u, double *us, double *un, double *uns, double *up, double *ups, double *unmp, double *unsmp, double *upmp, double *upsmp, double &scan, double &cfmp, double &sfmp, double &cfsp, double &sfsp, double sqsfi, double exri, int lcalc, dcomplex arg, double wn, double vk, np_int ndit, dcomplex **am, int isq, int ibf, Logger *logger);
+int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, ScatteringAngles *sa, ClusterIterationData *cid, FILE *output, const string& output_path, fstream& tppoan, Logger *logger);
/*! \brief C++ implementation of CLU
*
@@ -60,7 +61,13 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
* \param data_file: `string` Name of the input data file.
* \param output_path: `string` Directory to write the output files in.
*/
-void cluster(string config_file, string data_file, string output_path) {
+void cluster(const string& config_file, const string& data_file, const string& output_path) {
+ chrono::time_point<chrono::high_resolution_clock> t_start = chrono::high_resolution_clock::now();
+ chrono::duration<double> elapsed;
+ string message;
+ string timing_name = output_path + "/c_timing.log";
+ FILE *timing_file = fopen(timing_name.c_str(), "w");
+ Logger *time_logger = new Logger(LOG_DEBG, timing_file);
Logger *logger = new Logger(LOG_INFO);
logger->log("INFO: making legacy configuration...", LOG_INFO);
ScattererConfiguration *sconf = NULL;
@@ -86,147 +93,40 @@ void cluster(string config_file, string data_file, string output_path) {
exit(1);
}
logger->log(" done.\n", LOG_INFO);
- if (sconf->number_of_spheres == gconf->number_of_spheres) {
+ int s_nsph = sconf->number_of_spheres;
+ int nsph = gconf->number_of_spheres;
+ if (s_nsph == nsph) {
// Shortcuts to variables stored in configuration objects
- int nsph = gconf->number_of_spheres;
- np_int mxndm = (np_int)gconf->mxndm;
- int inpol = gconf->in_pol;
- int npnt = gconf->npnt;
- int npntts = gconf->npntts;
- int iavm = gconf->iavm;
- int isam = gconf->meridional_type;
- int nxi = sconf->number_of_scales;
- double th = gconf->in_theta_start;
- double thstp = gconf->in_theta_step;
- double thlst = gconf->in_theta_end;
- double ths = gconf->sc_theta_start;
- double thsstp = gconf->sc_theta_step;
- double thslst = gconf->sc_theta_end;
- double ph = gconf->in_phi_start;
- double phstp = gconf->in_phi_step;
- double phlst = gconf->in_phi_end;
- double phs = gconf->sc_phi_start;
- double phsstp = gconf->sc_phi_step;
- double phslst = gconf->sc_phi_end;
+ ScatteringAngles *p_scattering_angles = new ScatteringAngles(gconf);
double wp = sconf->wp;
- // Global variables for CLU
- int lm = gconf->l_max;
- if (gconf->li > lm) lm = gconf->li;
- if (gconf->le > lm) lm = gconf->le;
- C1 *c1 = new C1(nsph, lm, sconf->nshl_vec, sconf->iog_vec);
- C3 *c3 = new C3();
- for (int c1i = 0; c1i < nsph; c1i++) {
- c1->rxx[c1i] = gconf->sph_x[c1i];
- c1->ryy[c1i] = gconf->sph_y[c1i];
- c1->rzz[c1i] = gconf->sph_z[c1i];
- }
- for (int c1i = 0; c1i < c1->configurations; c1i++) {
- c1->ros[c1i] = sconf->radii_of_spheres[c1i];
- }
- C4 *c4 = new C4(gconf->li, gconf->le, nsph);
- C1_AddOns *c1ao = new C1_AddOns(c4);
- // End of add-ons initialization
- C6 *c6 = new C6(c4->lmtpo);
FILE *output = fopen((output_path + "/c_OCLU").c_str(), "w");
- int jer = 0;
- int lcalc = 0;
- dcomplex arg = 0.0 + 0.0 * I;
- dcomplex ccsam = 0.0 + 0.0 * I;
- int configurations = 0;
- for (int ci = 1; ci <= nsph; ci++) {
- if (sconf->iog_vec[ci -1] >= ci) configurations++;
- }
- C2 *c2 = new C2(nsph, configurations, npnt, npntts);
- np_int ndit = 2 * nsph * c4->nlim;
- printf("Size of matrices to invert: %ld x %ld\n", (int64_t) ndit, (int64_t) ndit);
- dcomplex *am_vector = new dcomplex[ndit * ndit]();
- dcomplex **am = new dcomplex*[ndit];
- for (int ai = 0; ai < ndit; ai++) {
- am[ai] = (am_vector + ai * ndit);
- }
- const int ndi = c4->nsph * c4->nlim;
- C9 *c9 = new C9(ndi, c4->nlem, 2 * ndi, 2 * c4->nlem);
- double *gaps = new double[nsph]();
- double *tqev = new double[3]();
- double *tqsv = new double[3]();
- double **tqse, **tqss, **tqce, **tqcs;
- dcomplex **tqspe, **tqsps, **tqcpe, **tqcps;
- tqse = new double*[2];
- tqspe = new dcomplex*[2];
- tqss = new double*[2];
- tqsps = new dcomplex*[2];
- tqce = new double*[2];
- tqcpe = new dcomplex*[2];
- tqcs = new double*[2];
- tqcps = new dcomplex*[2];
- for (int ti = 0; ti < 2; ti++) {
- tqse[ti] = new double[nsph]();
- tqspe[ti] = new dcomplex[nsph]();
- tqss[ti] = new double[nsph]();
- tqsps[ti] = new dcomplex[nsph]();
- tqce[ti] = new double[3]();
- tqcpe[ti] = new dcomplex[3]();
- tqcs[ti] = new double[3]();
- tqcps[ti] = new dcomplex[3]();
- }
- double *gapv = new double[3]();
- dcomplex **gapp, **gappm;
- double **gap, **gapm;
- gapp = new dcomplex*[3];
- gappm = new dcomplex*[3];
- gap = new double*[3];
- gapm = new double*[3];
- for (int gi = 0; gi < 3; gi++) {
- gapp[gi] = new dcomplex[2]();
- gappm[gi] = new dcomplex[2]();
- gap[gi] = new double[2]();
- gapm[gi] = new double[2]();
- }
- double *u = new double[3]();
- double *us = new double[3]();
- double *un = new double[3]();
- double *uns = new double[3]();
- double *up = new double[3]();
- double *ups = new double[3]();
- double *unmp = new double[3]();
- double *unsmp = new double[3]();
- double *upmp = new double[3]();
- double *upsmp = new double[3]();
- double *argi = new double[1]();
- double *args = new double[1]();
- double *duk = new double[3]();
- double **cextlr, **cext;
- double **cmullr, **cmul;
- cextlr = new double*[4];
- cext = new double*[4];
- cmullr = new double*[4];;
- cmul = new double*[4];
- for (int ci = 0; ci < 4; ci++) {
- cextlr[ci] = new double[4]();
- cext[ci] = new double[4]();
- cmullr[ci] = new double[4]();
- cmul[ci] = new double[4]();
- }
- int isq, ibf;
- double scan, cfmp, sfmp, cfsp, sfsp;
- // End of global variables for CLU
+ ClusterIterationData *cid = new ClusterIterationData(gconf, sconf);
+ const int ndi = cid->c4->nsph * cid->c4->nlim;
+ np_int ndit = 2 * ndi;
+ logger->log("INFO: Size of matrices to invert: " + to_string((int64_t)ndit) + " x " + to_string((int64_t)ndit) +".\n");
+ time_logger->log("INFO: Size of matrices to invert: " + to_string((int64_t)ndit) + " x " + to_string((int64_t)ndit) +".\n");
fprintf(output, " READ(IR,*)NSPH,LI,LE,MXNDM,INPOL,NPNT,NPNTTS,IAVM,ISAM\n");
fprintf(output, " %5d%5d%5d%5ld%5d%5d%5d%5d%5d\n",
- nsph, c4->li, c4->le, mxndm, inpol, npnt, npntts, iavm, isam
+ nsph, cid->c4->li, cid->c4->le, gconf->mxndm, gconf->in_pol, gconf->npnt,
+ gconf->npntts, gconf->iavm, gconf->iavm
);
fprintf(output, " READ(IR,*)RXX(I),RYY(I),RZZ(I)\n");
for (int ri = 0; ri < nsph; ri++) fprintf(output, "%17.8lE%17.8lE%17.8lE\n",
- gconf->sph_x[ri], gconf->sph_y[ri], gconf->sph_z[ri]
+ gconf->get_sph_x(ri), gconf->get_sph_y(ri), gconf->get_sph_z(ri)
);
fprintf(output, " READ(IR,*)TH,THSTP,THLST,THS,THSSTP,THSLST\n");
fprintf(
output, " %10.3lE%10.3lE%10.3lE%10.3lE%10.3lE%10.3lE\n",
- th, thstp, thlst, ths, thsstp, thslst
+ p_scattering_angles->th, p_scattering_angles->thstp,
+ p_scattering_angles->thlst, p_scattering_angles->ths,
+ p_scattering_angles->thsstp, p_scattering_angles->thslst
);
fprintf(output, " READ(IR,*)PH,PHSTP,PHLST,PHS,PHSSTP,PHSLST\n");
fprintf(
output, " %10.3lE%10.3lE%10.3lE%10.3lE%10.3lE%10.3lE\n",
- ph, phstp, phlst, phs, phsstp, phslst
+ p_scattering_angles->ph, p_scattering_angles->phstp,
+ p_scattering_angles->phlst, p_scattering_angles->phs,
+ p_scattering_angles->phsstp, p_scattering_angles->phslst
);
fprintf(output, " READ(IR,*)JWTM\n");
fprintf(output, " %5d\n", gconf->jwtm);
@@ -237,47 +137,10 @@ void cluster(string config_file, string data_file, string output_path) {
fprintf(output, " READ(ITIN)NSHL(I),ROS(I)\n");
fprintf(output, " READ(ITIN)(RCF(I,NS),NS=1,NSH)\n");
fprintf(output, " \n");
- double small = 1.0e-3;
- int nth = 0, nph = 0;
- if (thstp != 0.0) nth = int((thlst - th) / thstp + small);
- nth++;
- if (phstp != 0.0) nph = int((phlst - ph) / phstp + small);
- nph++;
- int nths = 0, nphs = 0;
- double thsca = 0.0;
- if (isam > 1) {
- nths = 1;
- thsca = ths - th;
- } else { // ISAM <= 1
- if (thsstp == 0.0) nths = 0;
- else nths = int ((thslst - ths) / thsstp + small);
- nths++;
- }
- if (isam >= 1) {
- nphs = 1;
- } else {
- if (phsstp == 0.0) nphs = 0;
- else nphs = int((phslst - phs) / phsstp + small);
- nphs++;
- }
- int nk = nth * nph;
- int nks = nths * nphs;
- int nkks = nk * nks;
- double th1 = th, ph1 = ph, ths1 = ths, phs1 = phs;
- str(sconf->rcf, c1, c1ao, c3, c4, c6);
- double ****zpv = new double***[c4->lm]; //[gconf->l_max][3][2][2]; // Matrix: dim[LM x 3 x 2 x 2]
- for (int zi = 0; zi < c4->lm; zi++) {
- zpv[zi] = new double**[3];
- for (int zj = 0; zj < 3; zj++) {
- zpv[zi][zj] = new double*[2];
- for (int zk = 0; zk < 2; zk++) {
- zpv[zi][zj][zk] = new double[2]();
- }
- }
- }
- thdps(c4->lm, zpv);
- double exri = sqrt(sconf->exdc);
- double vk = 0.0; // NOTE: Not really sure it should be initialized at 0
+ str(sconf, cid->c1, cid->c1ao, cid->c3, cid->c4, cid->c6);
+ thdps(cid->c4->lm, cid->zpv);
+ double exdc = sconf->exdc;
+ double exri = sqrt(exdc);
fprintf(output, " REFR. INDEX OF EXTERNAL MEDIUM=%15.7lE\n", exri);
fstream *tppoanp = new fstream;
fstream &tppoan = *tppoanp;
@@ -289,6 +152,14 @@ void cluster(string config_file, string data_file, string output_path) {
#else
logger->log("INFO: using fall-back lucin() calls.\n", LOG_INFO);
#endif
+ int iavm = gconf->iavm;
+ int isam = gconf->isam;
+ int inpol = gconf->in_pol;
+ int nxi = sconf->number_of_scales;
+ int nth = p_scattering_angles->nth;
+ int nths = p_scattering_angles->nths;
+ int nph = p_scattering_angles->nph;
+ int nphs = p_scattering_angles->nphs;
tppoan.write(reinterpret_cast<char *>(&iavm), sizeof(int));
tppoan.write(reinterpret_cast<char *>(&isam), sizeof(int));
tppoan.write(reinterpret_cast<char *>(&inpol), sizeof(int));
@@ -297,16 +168,24 @@ void cluster(string config_file, string data_file, string output_path) {
tppoan.write(reinterpret_cast<char *>(&nph), sizeof(int));
tppoan.write(reinterpret_cast<char *>(&nths), sizeof(int));
tppoan.write(reinterpret_cast<char *>(&nphs), sizeof(int));
- double wn = wp / 3.0e8;
- double sqsfi = 1.0;
if (sconf->idfc < 0) {
- vk = sconf->xip * wn;
- fprintf(output, " VK=%15.7lE, XI IS SCALE FACTOR FOR LENGTHS\n", vk);
+ cid->vk = cid->xip * cid->wn;
+ fprintf(output, " VK=%15.7lE, XI IS SCALE FACTOR FOR LENGTHS\n", cid->vk);
fprintf(output, " \n");
}
// do the first iteration on jxi488 separately, since it seems to be different from the others
int jxi488 = 1;
- jer = cluster_jxi488_cycle(jxi488, sconf, gconf, c1, c1ao, c2, c3, c4, c6, c9, output, output_path, gaps, tqse, tqspe, tqss, tqsps, zpv, gapm, gappm, nth, nths, nph, nphs, nk, nks, nkks, argi, args, gap, gapp, tqce, tqcpe, tqcs, tqcps, duk, tppoan, cextlr, cext, cmullr, cmul, gapv, tqev, tqsv, nxi, nsph, mxndm, inpol, iavm, npnt, npntts, isam, lm, th, thstp, thlst, ths, thsstp, thslst, ph, phstp, phlst, phs, phsstp, phslst, th1, ph1, ths1, phs1, thsca, u, us, un, uns, up, ups, unmp, unsmp, upmp, upsmp, scan, cfmp, sfmp, cfsp, sfsp, sqsfi, exri, lcalc, arg, wn, vk, ndit, am, isq, ibf, logger);
+ chrono::time_point<chrono::high_resolution_clock> start_iter_1 = chrono::high_resolution_clock::now();
+ int jer = cluster_jxi488_cycle(jxi488, sconf, gconf, p_scattering_angles, cid, output, output_path, tppoan, logger);
+ chrono::time_point<chrono::high_resolution_clock> end_iter_1 = chrono::high_resolution_clock::now();
+ elapsed = start_iter_1 - t_start;
+ message = "INFO: Calculation setup took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
+ time_logger->log(message);
+ elapsed = end_iter_1 - start_iter_1;
+ message = "INFO: First iteration took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
+ time_logger->log(message);
// Create this variable and initialise it with a default here, so that it is defined anyway, with or without OpenMP support enabled
int ompnumthreads = 1;
@@ -321,375 +200,42 @@ void cluster(string config_file, string data_file, string output_path) {
if (myompthread == 0) ompnumthreads = omp_get_num_threads();
#endif
// To test parallelism, I will now start feeding this function with "clean" copies of the parameters, so that they will not be changed by previous iterations, and each one will behave as the first one. Define all (empty) variables here, so they have the correct scope, then they get different definitions depending on thread number
- ScattererConfiguration *sconf_2 = NULL;
- GeometryConfiguration *gconf_2 = NULL;
- C1 *c1_2 = NULL;
- C1_AddOns *c1ao_2 = NULL;
- C2 *c2_2 = NULL;
- C3 *c3_2 = NULL;
- C4 *c4_2 = NULL;
- C6 *c6_2 = NULL;
- C9 *c9_2 = NULL;
+ ClusterIterationData *cid_2 = NULL;
FILE *output_2 = NULL;
fstream *tppoanp_2 = NULL;
- double *gaps_2 = NULL;
- double **tqse_2 = NULL;
- double **tqce_2 = NULL;
- double **tqcs_2 = NULL;
- dcomplex **tqspe_2 = NULL;
- dcomplex **tqcpe_2 = NULL;
- dcomplex **tqcps_2 = NULL;
- double **tqss_2 = NULL;
- dcomplex **tqsps_2 = NULL;
- double ****zpv_2 = NULL;
- double **gapm_2 = NULL;
- dcomplex **gappm_2 = NULL;
- double **gap_2 = NULL;
- dcomplex **gapp_2 = NULL;
- double *argi_2 = NULL;
- double *args_2 = NULL;
- double *duk_2 = NULL;
- double **cextlr_2 = NULL;
- double **cext_2 = NULL;
- double **cmullr_2 = NULL;
- double **cmul_2 = NULL;
- double *gapv_2 = NULL;
- double *tqev_2 = NULL;
- double *tqsv_2 = NULL;
- int nxi_2 = nxi;
- int nsph_2 = nsph;
- np_int mxndm_2 = mxndm;
- int inpol_2 = inpol;
- int iavm_2 = iavm;
- int npnt_2 = npnt;
- int npntts_2 = npntts;
- int isam_2 = isam;
- int lm_2 = lm;
- double th_2 = th;
- double thstp_2 = thstp;
- double thlst_2 = thlst;
- double ths_2 = ths;
- double thsstp_2 = thsstp;
- double thslst_2 = thslst;
- double ph_2 = ph;
- double phstp_2 = phstp;
- double phlst_2 = phlst;
- double phs_2 = phs;
- double phsstp_2 = phsstp;
- double phslst_2 = phslst;
- double th1_2 = th1;
- double ph1_2 = ph1;
- double ths1_2 = ths1;
- double phs1_2 = phs1;
- double thsca_2 = thsca;
- double *u_2 = NULL;
- double *us_2 = NULL;
- double *un_2 = NULL;
- double *uns_2 = NULL;
- double *up_2 = NULL;
- double *ups_2 = NULL;
- double *unmp_2 = NULL;
- double *unsmp_2 = NULL;
- double *upmp_2 = NULL;
- double *upsmp_2 = NULL;
- double scan_2 = scan;
- double cfmp_2 = cfmp;
- double sfmp_2 = sfmp;
- double cfsp_2 = cfsp;
- double sfsp_2 = sfsp;
- double sqsfi_2 = sqsfi;
- double exri_2 = exri;
- int lcalc_2 = lcalc;
- dcomplex arg_2 = arg;
- double wn_2 = wn;
- double vk_2 = vk;
- np_int ndit_2 = ndit;
- dcomplex **am_2 = NULL;
- dcomplex *am_vector_2 = NULL;
- int isq_2 = isq;
- int ibf_2 = ibf;
- int nth_2 = nth;
- int nths_2 = nths;
- int nph_2 = nph;
- int nphs_2 = nph;
- int nk_2 = nk;
- int nks_2 = nks;
- int nkks_2 = nkks;
// for threads other than the 0, create distinct copies of all relevant data, while for thread 0 just define new references / pointers to the original ones
if (myompthread == 0) {
- sconf_2 = sconf;
- gconf_2 = gconf;
- c1_2 = c1;
- c1ao_2 = c1ao;
- c2_2 = c2;
- c3_2 = c3;
- c4_2 = c4;
- c6_2 = c6;
- c9_2 = c9;
+ cid_2 = cid;
output_2 = output;
tppoanp_2 = tppoanp;
- gaps_2 = gaps;
- tqse_2 = tqse;
- tqce_2 = tqce;
- tqcs_2 = tqcs;
- tqspe_2 = tqspe;
- tqcpe_2 = tqcpe;
- tqcps_2 = tqcps;
- tqss_2 = tqss;
- tqsps_2 = tqsps;
- zpv_2 = zpv;
- gapm_2 = gapm;
- gappm_2 = gappm;
- gap_2 = gap;
- gapp_2 = gapp;
- argi_2 = argi;
- args_2 = args;
- duk_2 = duk;
- cextlr_2 = cextlr;
- cext_2 = cext;
- cmullr_2 = cmullr;
- cmul_2 = cmul;
- gapv_2 = gapv;
- tqev_2 = tqev;
- tqsv_2 = tqsv;
- u_2 = u;
- us_2 = us;
- un_2 = un;
- uns_2 = uns;
- up_2 = up;
- ups_2 = ups;
- unmp_2 = unmp;
- unsmp_2 = unsmp;
- upmp_2 = upmp;
- upsmp_2 = upsmp;
- am_2 = am;
- }
- else {
+ } else {
// this is not thread 0, so do create fresh copies of all local variables
- sconf_2 = new ScattererConfiguration(*sconf);
- gconf_2 = new GeometryConfiguration(*gconf);
- c1_2 = new C1(*c1);
- c1ao_2 = new C1_AddOns(*c1ao);
- c2_2 = new C2(*c2);
- c3_2 = new C3(*c3);
- c4_2 = new C4(*c4);
- c6_2 = new C6(*c6);
- c9_2 = new C9(*c9);
+ cid_2 = new ClusterIterationData(*cid);
output_2 = fopen((output_path + "/c_OCLU_" + to_string(myompthread)).c_str(), "w");
tppoanp_2 = new fstream;
tppoanp_2->open((output_path + "/c_TPPOAN_" + to_string(myompthread)).c_str(), ios::out | ios::binary);
- gaps_2 = new double[nsph]();
- tqse_2 = new double*[2];
- tqce_2 = new double*[2];
- tqcs_2 = new double*[2];
- tqspe_2 = new dcomplex*[2];
- tqcpe_2 = new dcomplex*[2];
- tqcps_2 = new dcomplex*[2];
- tqss_2 = new double*[2];
- tqsps_2 = new dcomplex*[2];
- for (int ti = 0; ti < 2; ti++) {
- tqse_2[ti] = new double[nsph]();
- tqce_2[ti] = new double[3]();
- tqcs_2[ti] = new double[3]();
- tqspe_2[ti] = new dcomplex[nsph]();
- tqcpe_2[ti] = new dcomplex[3]();
- tqcps_2[ti] = new dcomplex[3]();
- tqss_2[ti] = new double[nsph]();
- tqsps_2[ti] = new dcomplex[nsph]();
- for (int tj=0; tj<nsph; tj++) {
- tqse_2[ti][tj] = tqse[ti][tj];
- tqspe_2[ti][tj] = tqspe[ti][tj];
- tqss_2[ti][tj] = tqss[ti][tj];
- tqsps_2[ti][tj] = tqsps[ti][tj];
- }
- for (int tj=0; tj<3; tj++) {
- tqce_2[ti][tj] = tqce[ti][tj];
- tqcs_2[ti][tj] = tqcs[ti][tj];
- tqcpe_2[ti][tj] = tqcpe[ti][tj];
- tqcps_2[ti][tj] = tqcps[ti][tj];
- }
- }
- zpv_2 = new double***[c4->lm]; //[gconf->l_max][3][2][2]; // Matrix: dim[LM x 3 x 2 x 2]
- for (int zi = 0; zi < c4->lm; zi++) {
- zpv_2[zi] = new double**[3];
- for (int zj = 0; zj < 3; zj++) {
- zpv_2[zi][zj] = new double*[2];
- for (int zk = 0; zk < 2; zk++) {
- zpv_2[zi][zj][zk] = new double[2]();
- for (int zl = 0; zl < 2; zl++) zpv_2[zi][zj][zk][zl] = zpv[zi][zj][zk][zl];
- }
- }
- }
- gapm_2 = new double*[3];
- gappm_2 = new dcomplex*[3];
- gap_2 = new double*[3];
- gapp_2 = new dcomplex*[3];
- for (int gi = 0; gi < 3; gi++) {
- gap_2[gi] = new double[2]();
- gapm_2[gi] = new double[2]();
- gapp_2[gi] = new dcomplex[2]();
- gappm_2[gi] = new dcomplex[2]();
- for (int gj=0; gj<2; gj++) {
- gap_2[gi][gj] = gap[gi][gj];
- gapp_2[gi][gj] = gapp[gi][gj];
- gapm_2[gi][gj] = gapm[gi][gj];
- gappm_2[gi][gj] = gappm[gi][gj];
- }
- }
- argi_2 = new double[1]();
- argi_2[0] = argi[0];
- args_2 = new double[1]();
- args_2[0] = args[0];
- duk_2 = new double[3]();
- for (int di=0; di<3; di++) duk_2[di] = duk[di];
- cextlr_2 = new double*[4];
- cext_2 = new double*[4];
- cmullr_2 = new double*[4];
- cmul_2 = new double*[4];
- for (int ci = 0; ci < 4; ci++) {
- cextlr_2[ci] = new double[4]();
- cext_2[ci] = new double[4]();
- cmullr_2[ci] = new double[4]();
- cmul_2[ci] = new double[4]();
- for (int cj=0; cj<4; cj++) {
- cextlr_2[ci][cj] = cextlr[ci][cj];
- cext_2[ci][cj] = cext[ci][cj];
- cmullr_2[ci][cj] = cmullr[ci][cj];
- cmul_2[ci][cj] = cmul[ci][cj];
- }
- }
- gapv_2 = new double[3]();
- for (int gi=0; gi<3; gi++) gapv_2[gi] = gapv[gi];
- tqev_2 = new double[3]();
- tqsv_2 = new double[3]();
- for (int ti=0; ti<3; ti++) {
- tqev_2[ti] = tqev[ti];
- tqsv_2[ti] = tqsv[ti];
- }
- u_2 = new double[3]();
- us_2 = new double[3]();
- un_2 = new double[3]();
- uns_2 = new double[3]();
- up_2 = new double[3]();
- ups_2 = new double[3]();
- unmp_2 = new double[3]();
- unsmp_2 = new double[3]();
- upmp_2 = new double[3]();
- upsmp_2 = new double[3]();
- for (int ti=0; ti<3; ti++) {
- u_2[ti] = u[ti];
- us_2[ti] = us[ti];
- un_2[ti] = un[ti];
- uns_2[ti] = uns[ti];
- up_2[ti] = up[ti];
- ups_2[ti] = ups[ti];
- unmp_2[ti] = unmp[ti];
- unsmp_2[ti] = unsmp[ti];
- upmp_2[ti] = upmp[ti];
- upsmp_2[ti] = upsmp[ti];
- }
- am_2 = new dcomplex*[ndit];
- am_vector_2 = new dcomplex[ndit * ndit]();
- for (int ai = 0; ai < ndit; ai++) {
- am_2[ai] = (am_vector_2 + ai * ndit);
- }
}
fstream &tppoan_2 = *tppoanp_2;
// make sure all threads align here: I don't want the following loop to accidentally start for thread 0, possibly modifying some variables before they are copied by all other threads
#pragma omp barrier
- if (myompthread==0) printf("Syncing OpenMP threads and starting the loop on wavelengths\n");
+ if (myompthread==0) logger->log("Syncing OpenMP threads and starting the loop on wavelengths\n");
// ok, now I can actually start the parallel calculations
#pragma omp for
for (jxi488 = 2; jxi488 <= nxi; jxi488++) {
- jer = cluster_jxi488_cycle(jxi488, sconf_2, gconf_2, c1_2, c1ao_2, c2_2, c3_2, c4_2, c6_2, c9_2, output_2, output_path, gaps_2, tqse_2, tqspe_2, tqss_2, tqsps_2, zpv_2, gapm_2, gappm_2, nth_2, nths_2, nph_2, nphs_2, nk_2, nks_2, nkks_2, argi_2, args_2, gap_2, gapp_2, tqce_2, tqcpe_2, tqcs_2, tqcps_2, duk_2, tppoan_2, cextlr_2, cext_2, cmullr_2, cmul_2, gapv_2, tqev_2, tqsv_2, nxi_2, nsph_2, mxndm_2, inpol_2, iavm_2, npnt_2, npntts_2, isam_2, lm_2, th_2, thstp_2, thlst_2, ths_2, thsstp_2, thslst_2, ph_2, phstp_2, phlst_2, phs_2, phsstp_2, phslst_2, th1_2, ph1_2, ths1_2, phs1_2, thsca_2, u_2, us_2, un_2, uns_2, up_2, ups_2, unmp_2, unsmp_2, upmp_2, upsmp_2, scan_2, cfmp_2, sfmp_2, cfsp_2, sfsp_2, sqsfi_2, exri_2, lcalc_2, arg_2, wn_2, vk_2, ndit_2, am_2, isq_2, ibf_2, logger);
+ int jer = cluster_jxi488_cycle(jxi488, sconf, gconf, p_scattering_angles, cid_2, output_2, output_path, *tppoanp_2, logger);
}
#pragma omp barrier
// only threads different from 0 have to free local copies of variables and close local files
if (myompthread != 0) {
- delete sconf_2;
- delete gconf_2;
- delete c1_2;
- delete c1ao_2;
- delete c2_2;
- delete c3_2;
- delete c4_2;
- delete c6_2;
- delete c9_2;
+ delete cid_2;
fclose(output_2);
tppoanp_2->close();
delete tppoanp_2;
- delete[] gaps_2;
- for (int ti = 0; ti < 2; ti++) {
- delete[] tqse_2[ti];
- delete[] tqce_2[ti];
- delete[] tqcs_2[ti];
- delete[] tqspe_2[ti];
- delete[] tqcpe_2[ti];
- delete[] tqcps_2[ti];
- delete[] tqss_2[ti];
- delete[] tqsps_2[ti];
- }
- delete[] tqse_2;
- delete[] tqce_2;
- delete[] tqcs_2;
- delete[] tqspe_2;
- delete[] tqcpe_2;
- delete[] tqcps_2;
- delete[] tqss_2;
- delete[] tqsps_2;
- for (int zi = 0; zi < c4->lm; zi++) {
- for (int zj = 0; zj < 3; zj++) {
- for (int zk = 0; zk < 2; zk++) {
- delete[] zpv_2[zi][zj][zk];
- }
- delete[] zpv_2[zi][zj];
- }
- delete[] zpv_2[zi];
- }
- delete[] zpv_2;
- for (int gi = 0; gi < 3; gi++) {
- delete[] gap_2[gi];
- delete[] gapp_2[gi];
- delete[] gapm_2[gi];
- delete[] gappm_2[gi];
- }
- delete[] gap_2;
- delete[] gapp_2;
- delete[] gapm_2;
- delete[] gappm_2;
- delete[] argi_2;
- delete[] args_2;
- delete[] duk_2;
- for (int ci = 0; ci < 4; ci++) {
- delete[] cextlr_2[ci];
- delete[] cext_2[ci];
- delete[] cmullr_2[ci];
- delete[] cmul_2[ci];
- }
- delete[] cextlr_2;
- delete[] cext_2;
- delete[] cmullr_2;
- delete[] cmul_2;
- delete[] gapv_2;
- delete[] tqev_2;
- delete[] tqsv_2;
- delete[] u_2;
- delete[] us_2;
- delete[] un_2;
- delete[] uns_2;
- delete[] up_2;
- delete[] ups_2;
- delete[] unmp_2;
- delete[] unsmp_2;
- delete[] upmp_2;
- delete[] upsmp_2;
- delete[] am_vector_2;
- delete[] am_2;
}
#pragma omp barrier
{
- string message = "Closing thread-local output files of thread " + to_string(myompthread) + " and syncing threads.\n";
+ message = "INFO: Closing thread-local output files of thread " + to_string(myompthread) + " and syncing threads.\n";
logger->log(message);
}
} // closes pragma omp parallel
@@ -700,8 +246,8 @@ void cluster(string config_file, string data_file, string output_path) {
for (int ri = 1; ri < ompnumthreads; ri++) {
// Giovanni, please add here in this loop code to reopen the temporary files, reread them and append them respectively to the global output and tppoan, before closing them
string partial_file_name = output_path + "/c_OCLU_" + to_string(ri);
- string message = "Copying ASCII output of thread " + to_string(ri) + " of " + to_string(ompnumthreads - 1) + "... ";
- logger->log(message);
+ message = "Copying ASCII output of thread " + to_string(ri) + " of " + to_string(ompnumthreads - 1) + "... ";
+ logger->log(message, LOG_DEBG);
FILE *partial_output = fopen(partial_file_name.c_str(), "r");
char c = fgetc(partial_output);
while (c != EOF) {
@@ -710,10 +256,10 @@ void cluster(string config_file, string data_file, string output_path) {
}
fclose(partial_output);
remove(partial_file_name.c_str());
- logger->log("done.\n");
+ logger->log("done.\n", LOG_DEBG);
partial_file_name = output_path + "/c_TPPOAN_" + to_string(ri);
message = "Copying binary output of thread " + to_string(ri) + " of " + to_string(ompnumthreads - 1) + "... ";
- logger->log(message);
+ logger->log(message, LOG_DEBG);
fstream partial_tppoan;
partial_tppoan.open(partial_file_name.c_str(), ios::in | ios::binary);
partial_tppoan.seekg(0, ios::end);
@@ -725,7 +271,7 @@ void cluster(string config_file, string data_file, string output_path) {
partial_tppoan.close();
delete[] binary_buffer;
remove(partial_file_name.c_str());
- logger->log("done.\n");
+ logger->log("done.\n", LOG_DEBG);
}
}
#endif
@@ -736,79 +282,8 @@ void cluster(string config_file, string data_file, string output_path) {
}
fclose(output);
// Clean memory
- for (int zi = c4->lm - 1; zi > -1; zi--) {
- for (int zj = 2; zj > -1; zj--) {
- delete[] zpv[zi][zj][1];
- delete[] zpv[zi][zj][0];
- delete[] zpv[zi][zj];
- }
- delete[] zpv[zi];
- }
- delete[] zpv;
- delete c1;
- delete c1ao;
- delete c2;
- delete c3;
- delete c4;
- delete c6;
- delete c9;
- delete[] am_vector;
- delete[] am;
- delete[] gaps;
- for (int ti = 1; ti > -1; ti--) {
- delete[] tqse[ti];
- delete[] tqss[ti];
- delete[] tqspe[ti];
- delete[] tqsps[ti];
- delete[] tqce[ti];
- delete[] tqcpe[ti];
- delete[] tqcs[ti];
- delete[] tqcps[ti];
- }
- delete[] tqse;
- delete[] tqss;
- delete[] tqspe;
- delete[] tqsps;
- delete[] tqce;
- delete[] tqcpe;
- delete[] tqcs;
- delete[] tqcps;
- delete[] tqev;
- delete[] tqsv;
- for (int gi = 2; gi > -1; gi--) {
- delete[] gapp[gi];
- delete[] gappm[gi];
- delete[] gap[gi];
- delete[] gapm[gi];
- }
- delete[] gapp;
- delete[] gappm;
- delete[] gap;
- delete[] gapm;
- delete[] gapv;
- delete[] u;
- delete[] us;
- delete[] un;
- delete[] uns;
- delete[] up;
- delete[] ups;
- delete[] unmp;
- delete[] unsmp;
- delete[] upmp;
- delete[] upsmp;
- delete[] argi;
- delete[] args;
- delete[] duk;
- for (int ci = 3; ci > -1; ci--) {
- delete[] cextlr[ci];
- delete[] cext[ci];
- delete[] cmullr[ci];
- delete[] cmul[ci];
- }
- delete[] cextlr;
- delete[] cext;
- delete[] cmullr;
- delete[] cmul;
+ delete cid;
+ delete p_scattering_angles;
} else { // NSPH mismatch between geometry and scatterer configurations.
throw UnrecognizedConfigurationException(
"Inconsistent geometry and scatterer configurations."
@@ -816,193 +291,124 @@ void cluster(string config_file, string data_file, string output_path) {
}
delete sconf;
delete gconf;
+ chrono::time_point<chrono::high_resolution_clock> t_end = chrono::high_resolution_clock::now();
+ elapsed = t_end - t_start;
+ message = "INFO: Calculation lasted " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
logger->log("Finished: output written to " + output_path + "/c_OCLU\n");
+ time_logger->log(message);
+ fclose(timing_file);
+ delete time_logger;
delete logger;
}
-
-int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, C1 *c1, C1_AddOns *c1ao, C2 *c2, C3 *c3, C4 *c4, C6 *c6, C9 *c9, FILE *output, string output_path, double *gaps, double **tqse, dcomplex **tqspe, double **tqss, dcomplex **tqsps, double ****zpv, double **gapm, dcomplex **gappm, int nth, int nths, int nph, int nphs, int nk, int nks, int nkks, double *argi, double *args, double **gap, dcomplex **gapp, double **tqce, dcomplex **tqcpe, double **tqcs, dcomplex **tqcps, double *duk, fstream &tppoan, double **cextlr, double **cext, double **cmullr, double **cmul, double *gapv, double *tqev, double *tqsv, int nxi, int nsph, np_int mxndm, int inpol, int iavm, int npnt, int npntts, int isam, int lm, double th, double thstp, double thlst, double ths, double thsstp, double thslst, double ph, double phstp, double phlst, double phs, double phsstp, double phslst, double th1, double ph1, double ths1, double phs1, double thsca, double *u, double *us, double *un, double *uns, double *up, double *ups, double *unmp, double *unsmp, double *upmp, double *upsmp, double &scan, double &cfmp, double &sfmp, double &cfsp, double &sfsp, double sqsfi, double exri, int lcalc, dcomplex arg, double wn, double vk, np_int ndit, dcomplex **am, int isq, int ibf, Logger *logger)
+int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, ScatteringAngles *sa, ClusterIterationData *cid, FILE *output, const string& output_path, fstream& tppoan, Logger *logger)
{
-
- // int nxi = sconf->number_of_scales;
- // int nsph = gconf->number_of_spheres;
- // np_int mxndm = (np_int)gconf->mxndm;
- // int inpol = gconf->in_pol;
- // int iavm = gconf->iavm;
- // int npnt = gconf->npnt;
- // int npntts = gconf->npntts;
- // int isam = gconf->meridional_type;
- // int lm = gconf->l_max;
- // double th = gconf->in_theta_start;
- // double thstp = gconf->in_theta_step;
- // double thlst = gconf->in_theta_end;
- // double ths = gconf->sc_theta_start;
- // double thsstp = gconf->sc_theta_step;
- // double thslst = gconf->sc_theta_end;
- // double ph = gconf->in_phi_start;
- // double phstp = gconf->in_phi_step;
- // double phlst = gconf->in_phi_end;
- // double phs = gconf->sc_phi_start;
- // double phsstp = gconf->sc_phi_step;
- // double phslst = gconf->sc_phi_end;
- // double th1 = th;
- // double ph1 = ph;
- // double ths1 = ths;
- // double phs1 = phs;
- // double thsca = 0.0;
- // if (isam > 1) thsca = ths - th;
- // double *u = new double[3]();
- // double *us = new double[3]();
- // double *un = new double[3]();
- // double *uns = new double[3]();
- // double *up = new double[3]();
- // double *ups = new double[3]();
- // double *unmp = new double[3]();
- // double *unsmp = new double[3]();
- // double *upmp = new double[3]();
- // double *upsmp = new double[3]();
- // double scan;
- // double cfmp;
- // double sfmp;
- // double cfsp;
- // double sfsp;
- // double sqsfi = 1.0;
- // double exri = sqrt(sconf->exdc);
+ int nxi = sconf->number_of_scales;
+ string message = "INFO: running scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n";
+ logger->log(message);
+ chrono::duration<double> elapsed;
+ chrono::time_point<chrono::high_resolution_clock> interval_start, interval_end;
int jer = 0;
- // int lcalc = 0;
- // dcomplex arg = 0.0 + 0.0 * I;
- // double wp = sconf->wp;
- // double wn = wp / 3.0e8;
- // double vk = 0.0;
- // if (sconf->idfc < 0) vk = sconf->xip * wn;
- // np_int ndit = 2 * nsph * c4->nlim;
- // dcomplex *am_vector = new dcomplex[ndit * ndit]();
- // dcomplex **am = new dcomplex*[ndit];
- // for (int ai = 0; ai < ndit; ai++) {
- // am[ai] = (am_vector + ai * ndit);
- // }
- // int isq;
- // int ibf;
-
-
- logger->log("INFO: running scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n");
+ int lcalc = 0;
int jaw = 1;
+ int li = gconf->li;
+ int le = gconf->le;
+ int lm = 0;
+ if (le > lm) lm = le;
+ if (li > lm) lm = li;
+ int nsph = gconf->number_of_spheres;
+ np_int mxndm = gconf->mxndm;
+ int iavm = gconf->iavm;
+ int inpol = gconf->in_pol;
+ int npnt = gconf->npnt;
+ int npntts = gconf->npntts;
+ int isam = gconf->iavm;
+ int jwtm = gconf->jwtm;
+ np_int ndit = 2 * nsph * cid->c4->nlim;
+ int isq, ibf;
+
fprintf(output, "========== JXI =%3d ====================\n", jxi488);
- double xi = sconf->scale_vec[jxi488 - 1];
+ double xi = sconf->get_scale(jxi488 - 1);
+ double exdc = sconf->exdc;
+ double exri = sqrt(exdc);
+ int idfc = (int)sconf->idfc;
double vkarg = 0.0;
- if (sconf->idfc >= 0) {
- vk = xi * wn;
- vkarg = vk;
- fprintf(output, " VK=%15.7lE, XI=%15.7lE\n", vk, xi);
+ if (idfc >= 0) {
+ cid->vk = xi * cid->wn;
+ vkarg = cid->vk;
+ fprintf(output, " VK=%15.7lE, XI=%15.7lE\n", cid->vk, xi);
} else {
- vkarg = xi * vk;
- sqsfi = 1.0 / (xi * xi);
+ vkarg = xi * cid->vk;
+ cid->sqsfi = 1.0 / (xi * xi);
fprintf(output, " XI=%15.7lE\n", xi);
}
- hjv(exri, vkarg, jer, lcalc, arg, c1, c1ao, c4);
+ hjv(exri, vkarg, jer, lcalc, cid->arg, cid->c1, cid->c1ao, cid->c4);
if (jer != 0) {
fprintf(output, " STOP IN HJV\n");
- // delete[] u;
- // delete[] us;
- // delete[] un;
- // delete[] uns;
- // delete[] up;
- // delete[] ups;
- // delete[] unmp;
- // delete[] unsmp;
- // delete[] upmp;
- // delete[] upsmp;
- // delete[] am_vector;
- // delete[] am;
return jer;
// break; // rewrite this to go to the end of the function, to free locally allocated variables and return jer
}
for (int i132 = 1; i132 <= nsph; i132++) {
- int iogi = c1->iog[i132 - 1];
+ int iogi = cid->c1->iog[i132 - 1];
if (iogi != i132) {
- for (int l123 = 1; l123 <= gconf->li; l123++) {
- c1->rmi[l123 - 1][i132 - 1] = c1->rmi[l123 - 1][iogi - 1];
- c1->rei[l123 - 1][i132 - 1] = c1->rei[l123 - 1][iogi - 1];
+ for (int l123 = 1; l123 <= li; l123++) {
+ cid->c1->rmi[l123 - 1][i132 - 1] = cid->c1->rmi[l123 - 1][iogi - 1];
+ cid->c1->rei[l123 - 1][i132 - 1] = cid->c1->rei[l123 - 1][iogi - 1];
} // l123 loop
} else {
- int nsh = sconf->nshl_vec[i132 - 1];
+ int nsh = cid->c1->nshl[i132 - 1];
int ici = (nsh + 1) / 2;
- if (sconf->idfc == 0) {
+ if (idfc == 0) {
for (int ic = 0; ic < ici; ic++)
- c2->dc0[ic] = sconf->dc0_matrix[ic][i132 - 1][jxi488 - 1];
+ cid->c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132 - 1, jxi488 - 1);
} else {
if (jxi488 == 1) {
for (int ic = 0; ic < ici; ic++)
- c2->dc0[ic] = sconf->dc0_matrix[ic][i132 - 1][0];
+ cid->c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132 - 1, 0);
}
}
- if (nsh % 2 == 0) c2->dc0[ici] = sconf->exdc;
+ if (nsh % 2 == 0) cid->c2->dc0[ici] = exdc;
dme(
- c4->li, i132, npnt, npntts, vkarg, sconf->exdc, exri,
- c1, c2, jer, lcalc, arg
+ cid->c4->li, i132, npnt, npntts, vkarg, exdc, exri,
+ cid->c1, cid->c2, jer, lcalc, cid->arg
);
if (jer != 0) {
fprintf(output, " STOP IN DME\n");
- // delete[] u;
- // delete[] us;
- // delete[] un;
- // delete[] uns;
- // delete[] up;
- // delete[] ups;
- // delete[] unmp;
- // delete[] unsmp;
- // delete[] upmp;
- // delete[] upsmp;
- // delete[] am_vector;
- // delete[] am;
return jer;
//break;
}
}
if (jer != 0) {
- // delete[] u;
- // delete[] us;
- // delete[] un;
- // delete[] uns;
- // delete[] up;
- // delete[] ups;
- // delete[] unmp;
- // delete[] unsmp;
- // delete[] upmp;
- // delete[] upsmp;
- // delete[] am_vector;
- // delete[] am;
return jer;
//break;
}
} // i132 loop
- cms(am, c1, c1ao, c4, c6);
- invert_matrix(am, ndit, jer, mxndm);
+ interval_start = chrono::high_resolution_clock::now();
+ cms(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6);
+ interval_end = chrono::high_resolution_clock::now();
+ elapsed = interval_end - interval_start;
+ message = "INFO: matrix calculation for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
+ interval_start = chrono::high_resolution_clock::now();
+ invert_matrix(cid->am, ndit, jer, mxndm);
+ interval_end = chrono::high_resolution_clock::now();
+ elapsed = interval_end - interval_start;
+ message = "INFO: matrix inversion for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
if (jer != 0) {
- // delete[] u;
- // delete[] us;
- // delete[] un;
- // delete[] uns;
- // delete[] up;
- // delete[] ups;
- // delete[] unmp;
- // delete[] unsmp;
- // delete[] upmp;
- // delete[] upsmp;
- // delete[] am_vector;
- // delete[] am;
return jer;
// break; // jxi488 loop: goes to memory clean
}
- ztm(am, c1, c1ao, c4, c6, c9);
- if (sconf->idfc >= 0) {
- if (jxi488 == gconf->jwtm) {
- int nlemt = 2 * c4->nlem;
+ interval_start = chrono::high_resolution_clock::now();
+ ztm(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6, cid->c9);
+ if (idfc >= 0) {
+ if (jxi488 == jwtm) {
+ int nlemt = 2 * cid->c4->nlem;
string ttms_name = output_path + "/c_TTMS.hd5";
- TransitionMatrix ttms(nlemt, lm, vk, exri, c1ao->am0m);
- ttms.write_binary(ttms_name, "HDF5");
+ TransitionMatrix::write_binary(ttms_name, nlemt, lm, cid->vk, exri, cid->c1ao->am0m, "HDF5");
ttms_name = output_path + "/c_TTMS";
- ttms.write_binary(ttms_name);
+ TransitionMatrix::write_binary(ttms_name, nlemt, lm, cid->vk, exri, cid->c1ao->am0m);
}
}
// label 156: continue from here
@@ -1012,89 +418,94 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
fprintf(output, " CIRC\n");
}
// label 160
- double cs0 = 0.25 * vk * vk * vk / acos(0.0);
+ double cs0 = 0.25 * cid->vk * cid->vk * cid->vk / acos(0.0);
double csch = 0.0, qschu = 0.0, pschu = 0.0, s0mag = 0.0;
dcomplex s0 = 0.0 + 0.0 * I;
- scr0(vk, exri, c1, c1ao, c3, c4);
- double sqk = vk * vk * sconf->exdc;
- aps(zpv, c4->li, nsph, c1, sqk, gaps);
- rabas(inpol, c4->li, nsph, c1, tqse, tqspe, tqss, tqsps);
- if (c4->li != c4->le) fprintf(output, " SPHERES; LMX=LI\n");
+ scr0(cid->vk, exri, cid->c1, cid->c1ao, cid->c3, cid->c4);
+ double sqk = cid->vk * cid->vk * exdc;
+ aps(cid->zpv, cid->c4->li, nsph, cid->c1, sqk, cid->gaps);
+ rabas(inpol, cid->c4->li, nsph, cid->c1, cid->tqse, cid->tqspe, cid->tqss, cid->tqsps);
+ if (cid->c4->li != cid->c4->le) fprintf(output, " SPHERES; LMX=LI\n");
for (int i170 = 1; i170 <= nsph; i170++) {
- if (c1->iog[i170 - 1] >= i170) {
+ if (cid->c1->iog[i170 - 1] >= i170) {
int i = i170 - 1;
- double albeds = c1->sscs[i] / c1->sexs[i];
- c1->sqscs[i] *= sqsfi;
- c1->sqabs[i] *= sqsfi;
- c1->sqexs[i] *= sqsfi;
+ double albeds = cid->c1->sscs[i] / cid->c1->sexs[i];
+ cid->c1->sqscs[i] *= cid->sqsfi;
+ cid->c1->sqabs[i] *= cid->sqsfi;
+ cid->c1->sqexs[i] *= cid->sqsfi;
fprintf(output, " SPHERE %2d\n", i170);
- if (c1->nshl[i] != 1) {
- fprintf(output, " SIZE=%15.7lE\n", c2->vsz[i]);
+ if (cid->c1->nshl[i] != 1) {
+ fprintf(output, " SIZE=%15.7lE\n", cid->c2->vsz[i]);
} else { // label 162
- fprintf(output, " SIZE=%15.7lE, REFRACTIVE INDEX=%15.7lE%15.7lE\n", c2->vsz[i], real(c2->vkt[i]), imag(c2->vkt[i]));
+ fprintf(output, " SIZE=%15.7lE, REFRACTIVE INDEX=%15.7lE%15.7lE\n", cid->c2->vsz[i], real(cid->c2->vkt[i]), imag(cid->c2->vkt[i]));
}
// label 164
fprintf(output, " ----- SCS ----- ABS ----- EXS ----- ALBEDS --\n");
- fprintf(output, " %14.7lE%15.7lE%15.7lE%15.7lE\n", c1->sscs[i], c1->sabs[i], c1->sexs[i], albeds);
+ fprintf(output, " %14.7lE%15.7lE%15.7lE%15.7lE\n", cid->c1->sscs[i], cid->c1->sabs[i], cid->c1->sexs[i], albeds);
fprintf(output, " ---- SCS/GS -- ABS/GS -- EXS/GS ---\n");
- fprintf(output, " %14.7lE%15.7lE%15.7lE\n", c1->sqscs[i], c1->sqabs[i], c1->sqexs[i]);
- fprintf(output, " FSAS=%15.7lE%15.7lE\n", real(c1->fsas[i]), imag(c1->fsas[i]));
- csch = 2.0 * vk * sqsfi / c1->gcsv[i];
- s0 = c1->fsas[i] * exri;
+ fprintf(output, " %14.7lE%15.7lE%15.7lE\n", cid->c1->sqscs[i], cid->c1->sqabs[i], cid->c1->sqexs[i]);
+ fprintf(output, " FSAS=%15.7lE%15.7lE\n", real(cid->c1->fsas[i]), imag(cid->c1->fsas[i]));
+ csch = 2.0 * cid->vk * cid->sqsfi / cid->c1->gcsv[i];
+ s0 = cid->c1->fsas[i] * exri;
qschu = imag(s0) * csch;
pschu = real(s0) * csch;
s0mag = cabs(s0) * cs0;
fprintf(output, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n", qschu, pschu, s0mag);
- double rapr = c1->sexs[i] - gaps[i];
- double cosav = gaps[i] / c1->sscs[i];
+ double rapr = cid->c1->sexs[i] - cid->gaps[i];
+ double cosav = cid->gaps[i] / cid->c1->sscs[i];
fprintf(output, " COSAV=%15.7lE, RAPRS=%15.7lE\n", cosav, rapr);
- fprintf(output, " IPO= 1, TQEk=%15.7lE, TQSk=%15.7lE\n", tqse[0][i], tqss[0][i]);
- fprintf(output, " IPO= 2, TQEk=%15.7lE, TQSk=%15.7lE\n", tqse[1][i], tqss[1][i]);
+ fprintf(output, " IPO= 1, TQEk=%15.7lE, TQSk=%15.7lE\n", cid->tqse[0][i], cid->tqss[0][i]);
+ fprintf(output, " IPO= 2, TQEk=%15.7lE, TQSk=%15.7lE\n", cid->tqse[1][i], cid->tqss[1][i]);
}
} // i170 loop
- fprintf(output, " FSAT=%15.7lE%15.7lE\n", real(c3->tfsas), imag(c3->tfsas));
- csch = 2.0 * vk * sqsfi / c3->gcs;
- s0 = c3->tfsas * exri;
+ fprintf(output, " FSAT=%15.7lE%15.7lE\n", real(cid->c3->tfsas), imag(cid->c3->tfsas));
+ csch = 2.0 * cid->vk * cid->sqsfi / cid->c3->gcs;
+ s0 = cid->c3->tfsas * exri;
qschu = imag(s0) * csch;
pschu = real(s0) * csch;
s0mag = cabs(s0) * cs0;
fprintf(output, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n", qschu, pschu, s0mag);
- tppoan.write(reinterpret_cast<char *>(&vk), sizeof(double));
- pcrsm0(vk, exri, inpol, c1, c1ao, c4);
- apcra(zpv, c4->le, c1ao->am0m, inpol, sqk, gapm, gappm);
- th = th1;
- for (int jth486 = 1; jth486 <= nth; jth486++) { // OpenMP portable?
- ph = ph1;
+ tppoan.write(reinterpret_cast<char *>(&(cid->vk)), sizeof(double));
+ pcrsm0(cid->vk, exri, inpol, cid->c1, cid->c1ao, cid->c4);
+ apcra(cid->zpv, cid->c4->le, cid->c1ao->am0m, inpol, sqk, cid->gapm, cid->gappm);
+ interval_end = chrono::high_resolution_clock::now();
+ elapsed = interval_end - interval_start;
+ message = "INFO: average calculation for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
+ interval_start = chrono::high_resolution_clock::now();
+ double th = sa->th;
+ for (int jth486 = 1; jth486 <= sa->nth; jth486++) { // OpenMP portable?
+ double ph = sa->ph;
double cost = 0.0, sint = 0.0, cosp = 0.0, sinp = 0.0;
- for (int jph484 = 1; jph484 <= nph; jph484++) {
+ for (int jph484 = 1; jph484 <= sa->nph; jph484++) {
int jw = 0;
- if (nk != 1 || jxi488 <= 1) {
- upvmp(th, ph, 0, cost, sint, cosp, sinp, u, upmp, unmp);
+ if (sa->nk != 1 || jxi488 <= 1) {
+ upvmp(th, ph, 0, cost, sint, cosp, sinp, cid->u, cid->upmp, cid->unmp);
if (isam >= 0) {
wmamp(
- 0, cost, sint, cosp, sinp, inpol, c4->le, 0,
- nsph, argi, u, upmp, unmp, c1
+ 0, cost, sint, cosp, sinp, inpol, cid->c4->le, 0,
+ nsph, cid->argi, cid->u, cid->upmp, cid->unmp, cid->c1
);
// label 182
- apc(zpv, c4->le, c1ao->am0m, c1->w, sqk, gap, gapp);
- raba(c4->le, c1ao->am0m, c1->w, tqce, tqcpe, tqcs, tqcps);
+ apc(cid->zpv, cid->c4->le, cid->c1ao->am0m, cid->c1->w, sqk, cid->gap, cid->gapp);
+ raba(cid->c4->le, cid->c1ao->am0m, cid->c1->w, cid->tqce, cid->tqcpe, cid->tqcs, cid->tqcps);
jw = 1;
}
} else { // label 180, NK == 1 AND JXI488 == 1
if (isam >= 0) {
// label 182
- apc(zpv, c4->le, c1ao->am0m, c1->w, sqk, gap, gapp);
- raba(c4->le, c1ao->am0m, c1->w, tqce, tqcpe, tqcs, tqcps);
+ apc(cid->zpv, cid->c4->le, cid->c1ao->am0m, cid->c1->w, sqk, cid->gap, cid->gapp);
+ raba(cid->c4->le, cid->c1ao->am0m, cid->c1->w, cid->tqce, cid->tqcpe, cid->tqcs, cid->tqcps);
jw = 1;
}
}
// label 184
- double thsl = ths1;
+ double thsl = sa->ths;
double phsph = 0.0;
- for (int jths = 1; jths <= nths; jths++) {
- ths = thsl;
+ for (int jths = 1; jths <= sa->nths; jths++) {
+ double ths = thsl;
int icspnv = 0;
- if (isam > 1) ths += thsca;
+ if (isam > 1) ths += sa->thsca;
if (isam >= 1) {
phsph = 0.0;
if (ths < 0.0 || ths > 180.0) phsph = 180.0;
@@ -1103,49 +514,49 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
if (phsph != 0.0) icspnv = 1;
}
// label 186
- phs = phs1;
- for (int jphs = 1; jphs <= nphs; jphs++) {
+ double phs = sa->phs;
+ for (int jphs = 1; jphs <= sa->nphs; jphs++) {
double costs = 0.0, sints = 0.0, cosps = 0.0, sinps = 0.0;
if (isam >= 1) {
- phs = ph + phsph;
+ phs = sa->ph + phsph;
if (phs > 360.0) phs -= 360.0;
}
// label 188
- bool goto190 = (nks == 1 && (jxi488 > 1 || jth486 > 1 || jph484 > 1));
+ bool goto190 = (sa->nks == 1 && (jxi488 > 1 || jth486 > 1 || jph484 > 1));
if (!goto190) {
- upvmp(ths, phs, icspnv, costs, sints, cosps, sinps, us, upsmp, unsmp);
+ upvmp(ths, phs, icspnv, costs, sints, cosps, sinps, cid->us, cid->upsmp, cid->unsmp);
if (isam >= 0)
wmamp(
- 2, costs, sints, cosps, sinps, inpol, c4->le,
- 0, nsph, args, us, upsmp, unsmp, c1
+ 2, costs, sints, cosps, sinps, inpol, cid->c4->le,
+ 0, nsph, cid->args, cid->us, cid->upsmp, cid->unsmp, cid->c1
);
}
// label 190
- if (nkks != 1 || jxi488 <= 1) {
+ if (sa->nkks != 1 || jxi488 <= 1) {
upvsp(
- u, upmp, unmp, us, upsmp, unsmp, up, un, ups, uns,
- duk, isq, ibf, scan, cfmp, sfmp, cfsp, sfsp
+ cid->u, cid->upmp, cid->unmp, cid->us, cid->upsmp, cid->unsmp, cid->up, cid->un, cid->ups, cid->uns,
+ cid->duk, isq, ibf, cid->scan, cid->cfmp, cid->sfmp, cid->cfsp, cid->sfsp
);
if (isam < 0) {
wmasp(
cost, sint, cosp, sinp, costs, sints, cosps, sinps,
- u, up, un, us, ups, uns, isq, ibf, inpol, c4->le,
- 0, nsph, argi, args, c1
+ cid->u, cid->up, cid->un, cid->us, cid->ups, cid->uns, isq, ibf, inpol, cid->c4->le,
+ 0, nsph, cid->argi, cid->args, cid->c1
);
} else { // label 192
for (int i193 = 0; i193 < 3; i193++) {
- up[i193] = upmp[i193];
- un[i193] = unmp[i193];
- ups[i193] = upsmp[i193];
- uns[i193] = unsmp[i193];
+ cid->up[i193] = cid->upmp[i193];
+ cid->un[i193] = cid->unmp[i193];
+ cid->ups[i193] = cid->upsmp[i193];
+ cid->uns[i193] = cid->unsmp[i193];
}
}
}
// label 194
- if (iavm == 1) crsm1(vk, exri, c1, c1ao, c4, c6);
+ if (iavm == 1) crsm1(cid->vk, exri, cid->c1, cid->c1ao, cid->c4, cid->c6);
if (isam < 0) {
- apc(zpv, c4->le, c1ao->am0m, c1->w, sqk, gap, gapp);
- raba(c4->le, c1ao->am0m, c1->w, tqce, tqcpe, tqcs, tqcps);
+ apc(cid->zpv, cid->c4->le, cid->c1ao->am0m, cid->c1->w, sqk, cid->gap, cid->gapp);
+ raba(cid->c4->le, cid->c1ao->am0m, cid->c1->w, cid->tqce, cid->tqcpe, cid->tqcs, cid->tqcps);
jw = 1;
}
// label 196
@@ -1153,38 +564,38 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
tppoan.write(reinterpret_cast<char *>(&ph), sizeof(double));
tppoan.write(reinterpret_cast<char *>(&ths), sizeof(double));
tppoan.write(reinterpret_cast<char *>(&phs), sizeof(double));
- tppoan.write(reinterpret_cast<char *>(&scan), sizeof(double));
+ tppoan.write(reinterpret_cast<char *>(&(cid->scan)), sizeof(double));
if (jaw != 0) {
jaw = 0;
- mextc(vk, exri, c1ao->fsacm, cextlr, cext);
+ mextc(cid->vk, exri, cid->c1ao->fsacm, cid->cextlr, cid->cext);
// We now have some implicit loops writing to binary
for (int i = 0; i < 4; i++) {
for (int j = 0; j < 4; j++) {
- double value = cext[i][j];
+ double value = cid->cext[i][j];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
for (int i = 0; i < 2; i++) {
- double value = c1ao->scscm[i];
+ double value = cid->c1ao->scscm[i];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = real(c1ao->scscpm[i]);
+ value = real(cid->c1ao->scscpm[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(c1ao->scscpm[i]);
+ value = imag(cid->c1ao->scscpm[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = c1ao->ecscm[i];
+ value = cid->c1ao->ecscm[i];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = real(c1ao->ecscpm[i]);
+ value = real(cid->c1ao->ecscpm[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(c1ao->ecscpm[i]);
+ value = imag(cid->c1ao->ecscpm[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
for (int i = 0; i < 3; i++) {
for (int j = 0; j < 2; j++) {
- double value = gapm[i][j];
+ double value = cid->gapm[i][j];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = real(gappm[i][j]);
+ value = real(cid->gappm[i][j]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(gappm[i][j]);
+ value = imag(cid->gappm[i][j]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
@@ -1193,24 +604,24 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
for (int ilr210 = 1; ilr210 <= 2; ilr210++) {
int ipol = (ilr210 % 2 == 0) ? 1 : -1;
if (ilr210 == 2) jlr = 1;
- double extsm = c1ao->ecscm[ilr210 - 1];
- double qextm = extsm * sqsfi / c3->gcs;
- double extrm = extsm / c3->ecs;
- double scasm = c1ao->scscm[ilr210 - 1];
+ double extsm = cid->c1ao->ecscm[ilr210 - 1];
+ double qextm = extsm * cid->sqsfi / cid->c3->gcs;
+ double extrm = extsm / cid->c3->ecs;
+ double scasm = cid->c1ao->scscm[ilr210 - 1];
double albdm = scasm / extsm;
- double qscam = scasm *sqsfi / c3->gcs;
- double scarm = scasm / c3->scs;
+ double qscam = scasm * cid->sqsfi / cid->c3->gcs;
+ double scarm = scasm / cid->c3->scs;
double abssm = extsm - scasm;
- double qabsm = abssm * sqsfi / c3->gcs;
- double absrm = abssm / c3->acs;
- double acsecs = c3->acs / c3->ecs;
+ double qabsm = abssm * cid->sqsfi / cid->c3->gcs;
+ double absrm = abssm / cid->c3->acs;
+ double acsecs = cid->c3->acs / cid->c3->ecs;
if (acsecs >= -1.0e-6 && acsecs <= 1.0e-6) absrm = 1.0;
- dcomplex s0m = c1ao->fsacm[ilr210 - 1][ilr210 - 1] * exri;
+ dcomplex s0m = cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1] * exri;
double qschum = imag(s0m) * csch;
double pschum = real(s0m) * csch;
double s0magm = cabs(s0m) * cs0;
- double rfinrm = real(c1ao->fsacm[ilr210 - 1][ilr210 - 1]) / real(c3->tfsas);
- double extcrm = imag(c1ao->fsacm[ilr210 - 1][ilr210 - 1]) / imag(c3->tfsas);
+ double rfinrm = real(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]) / real(cid->c3->tfsas);
+ double extcrm = imag(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]) / imag(cid->c3->tfsas);
if (inpol == 0) {
fprintf(output, " LIN %2d\n", ipol);
} else { // label 206
@@ -1225,37 +636,37 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
fprintf(output, " %14.7lE%15.7lE%15.7lE\n", scarm, absrm, extrm);
fprintf(
output, " FSAC(%1d,%1d)=%15.7lE%15.7lE FSAC(%1d,%1d)=%15.7lE%15.7lE\n",
- ilr210, ilr210, real(c1ao->fsacm[ilr210 - 1][ilr210 - 1]),
- imag(c1ao->fsacm[ilr210 - 1][ilr210 - 1]), jlr, ilr210,
- real(c1ao->fsacm[jlr - 1][ilr210 - 1]), imag(c1ao->fsacm[jlr - 1][ilr210 - 1])
+ ilr210, ilr210, real(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]),
+ imag(cid->c1ao->fsacm[ilr210 - 1][ilr210 - 1]), jlr, ilr210,
+ real(cid->c1ao->fsacm[jlr - 1][ilr210 - 1]), imag(cid->c1ao->fsacm[jlr - 1][ilr210 - 1])
);
fprintf(
output, " RE(FSAC(%1d,%1d))/RE(TFSAS)=%15.7lE, IM(FSAC(%1d,%1d))/IM(TFSAS)=%15.7lE\n",
ilr210, ilr210, rfinrm, ilr210, ilr210, extcrm
);
fprintf(output, " QSCHU=%15.7lE, PSCHU=%15.7lE, S0MAG=%15.7lE\n", qschum, pschum, s0magm);
- double rapr = c1ao->ecscm[ilr210 - 1] - gapm[2][ilr210 - 1];
- double cosav = gapm[2][ilr210 - 1] / c1ao->scscm[ilr210 - 1];
+ double rapr = cid->c1ao->ecscm[ilr210 - 1] - cid->gapm[2][ilr210 - 1];
+ double cosav = cid->gapm[2][ilr210 - 1] / cid->c1ao->scscm[ilr210 - 1];
double fz = rapr;
fprintf(output, " COSAV=%15.7lE, RAPRS=%15.7lE\n", cosav, rapr);
fprintf(output, " Fk=%15.7lE\n", fz);
} // ilr210 loop
- double rmbrif = (real(c1ao->fsacm[0][0]) - real(c1ao->fsacm[1][1])) / real(c1ao->fsacm[0][0]);
- double rmdchr = (imag(c1ao->fsacm[0][0]) - imag(c1ao->fsacm[1][1])) / imag(c1ao->fsacm[0][0]);
+ double rmbrif = (real(cid->c1ao->fsacm[0][0]) - real(cid->c1ao->fsacm[1][1])) / real(cid->c1ao->fsacm[0][0]);
+ double rmdchr = (imag(cid->c1ao->fsacm[0][0]) - imag(cid->c1ao->fsacm[1][1])) / imag(cid->c1ao->fsacm[0][0]);
fprintf(output, " (RE(FSAC(1,1))-RE(FSAC(2,2)))/RE(FSAC(1,1))=%15.7lE\n", rmbrif);
fprintf(output, " (IM(FSAC(1,1))-IM(FSAC(2,2)))/IM(FSAC(1,1))=%15.7lE\n", rmdchr);
}
// label 212
fprintf(output, "********** JTH =%3d, JPH =%3d, JTHS =%3d, JPHS =%3d ********************\n", jth486, jph484, jths, jphs);
fprintf(output, " TIDG=%10.3lE, PIDG=%10.3lE, TSDG=%10.3lE, PSDG=%10.3lE\n", th, ph, ths, phs);
- fprintf(output, " SCAND=%10.3lE\n", scan);
- fprintf(output, " CFMP=%15.7lE, SFMP=%15.7lE\n", cfmp, sfmp);
- fprintf(output, " CFSP=%15.7lE, SFSP=%15.7lE\n", cfsp, sfsp);
+ fprintf(output, " SCAND=%10.3lE\n", cid->scan);
+ fprintf(output, " CFMP=%15.7lE, SFMP=%15.7lE\n", cid->cfmp, cid->sfmp);
+ fprintf(output, " CFSP=%15.7lE, SFSP=%15.7lE\n", cid->cfsp, cid->sfsp);
if (isam >= 0) {
- fprintf(output, " UNI=(%12.5lE,%12.5lE,%12.5lE)\n", un[0], un[1], un[2]);
- fprintf(output, " UNS=(%12.5lE,%12.5lE,%12.5lE)\n", uns[0], uns[1], uns[2]);
+ fprintf(output, " UNI=(%12.5lE,%12.5lE,%12.5lE)\n", cid->un[0], cid->un[1], cid->un[2]);
+ fprintf(output, " UNS=(%12.5lE,%12.5lE,%12.5lE)\n", cid->uns[0], cid->uns[1], cid->uns[2]);
} else { // label 214
- fprintf(output, " UN=(%12.5lE,%12.5lE,%12.5lE)\n\n", un[0], un[1], un[2]);
+ fprintf(output, " UN=(%12.5lE,%12.5lE,%12.5lE)\n\n", cid->un[0], cid->un[1], cid->un[2]);
}
// label 220
if (inpol == 0) {
@@ -1264,127 +675,127 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
fprintf(output, " CIRC\n");
}
// label 224
- scr2(vk, vkarg, exri, duk, c1, c1ao, c3, c4);
- if (c4->li != c4->le) fprintf(output, " SPHERES; LMX=MIN0(LI,LE)\n");
+ scr2(cid->vk, vkarg, exri, cid->duk, cid->c1, cid->c1ao, cid->c3, cid->c4);
+ if (cid->c4->li != cid->c4->le) fprintf(output, " SPHERES; LMX=MIN0(LI,LE)\n");
for (int i226 = 1; i226 <= nsph; i226++) {
- if (c1->iog[i226 - 1] >= i226) {
+ if (cid->c1->iog[i226 - 1] >= i226) {
fprintf(output, " SPHERE %2d\n", i226);
fprintf(
output, " SAS(1,1)=%15.7lE%15.7lE, SAS(2,1)=%15.7lE%15.7lE\n",
- real(c1->sas[i226 - 1][0][0]), imag(c1->sas[i226 - 1][0][0]),
- real(c1->sas[i226 - 1][1][0]), imag(c1->sas[i226 - 1][1][0])
+ real(cid->c1->sas[i226 - 1][0][0]), imag(cid->c1->sas[i226 - 1][0][0]),
+ real(cid->c1->sas[i226 - 1][1][0]), imag(cid->c1->sas[i226 - 1][1][0])
);
fprintf(
output, " SAS(1,2)=%15.7lE%15.7lE, SAS(2,2)=%15.7lE%15.7lE\n",
- real(c1->sas[i226 - 1][0][1]), imag(c1->sas[i226 - 1][0][1]),
- real(c1->sas[i226 - 1][1][1]), imag(c1->sas[i226 - 1][1][1])
+ real(cid->c1->sas[i226 - 1][0][1]), imag(cid->c1->sas[i226 - 1][0][1]),
+ real(cid->c1->sas[i226 - 1][1][1]), imag(cid->c1->sas[i226 - 1][1][1])
);
for (int j225 = 0; j225 < 16; j225++) {
- c1->vint[j225] = c1->vints[i226 - 1][j225];
+ cid->c1->vint[j225] = cid->c1->vints[i226 - 1][j225];
} // j225 loop
- mmulc(c1->vint, cmullr, cmul);
+ mmulc(cid->c1->vint, cid->cmullr, cid->cmul);
fprintf(output, " MULS\n");
for (int i1 = 0; i1 < 4; i1++) {
fprintf(
output, " %15.7lE%15.7lE%15.7lE%15.7lE\n",
- cmul[i1][0], cmul[i1][1], cmul[i1][2], cmul[i1][3]
+ cid->cmul[i1][0], cid->cmul[i1][1], cid->cmul[i1][2], cid->cmul[i1][3]
);
} // i1 loop
fprintf(output, " MULSLR\n");
for (int i1 = 0; i1 < 4; i1++) {
fprintf(
output, " %15.7lE%15.7lE%15.7lE%15.7lE\n",
- cmullr[i1][0], cmullr[i1][1], cmullr[i1][2], cmullr[i1][3]
+ cid->cmullr[i1][0], cid->cmullr[i1][1], cid->cmullr[i1][2], cid->cmullr[i1][3]
);
} // i1 loop
}
} // i226 loop
fprintf(
output, " SAT(1,1)=%15.7lE%15.7lE, SAT(2,1)=%15.7lE%15.7lE\n",
- real(c3->tsas[0][0]), imag(c3->tsas[0][0]),
- real(c3->tsas[1][0]), imag(c3->tsas[1][0])
+ real(cid->c3->tsas[0][0]), imag(cid->c3->tsas[0][0]),
+ real(cid->c3->tsas[1][0]), imag(cid->c3->tsas[1][0])
);
fprintf(
output, " SAT(1,2)=%15.7lE%15.7lE, SAT(2,2)=%15.7lE%15.7lE\n",
- real(c3->tsas[0][1]), imag(c3->tsas[0][1]),
- real(c3->tsas[1][1]), imag(c3->tsas[1][1])
+ real(cid->c3->tsas[0][1]), imag(cid->c3->tsas[0][1]),
+ real(cid->c3->tsas[1][1]), imag(cid->c3->tsas[1][1])
);
fprintf(output, " CLUSTER\n");
- pcros(vk, exri, c1, c1ao, c4);
- mextc(vk, exri, c1ao->fsac, cextlr, cext);
- mmulc(c1->vint, cmullr, cmul);
+ pcros(cid->vk, exri, cid->c1, cid->c1ao, cid->c4);
+ mextc(cid->vk, exri, cid->c1ao->fsac, cid->cextlr, cid->cext);
+ mmulc(cid->c1->vint, cid->cmullr, cid->cmul);
if (jw != 0) {
jw = 0;
// Some implicit loops writing to binary.
for (int i = 0; i < 4; i++) {
for (int j = 0; j < 4; j++) {
- double value = cext[i][j];
+ double value = cid->cext[i][j];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
for (int i = 0; i < 2; i++) {
- double value = c1ao->scsc[i];
+ double value = cid->c1ao->scsc[i];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = real(c1ao->scscp[i]);
+ value = real(cid->c1ao->scscp[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(c1ao->scscp[i]);
+ value = imag(cid->c1ao->scscp[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = c1ao->ecsc[i];
+ value = cid->c1ao->ecsc[i];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = real(c1ao->ecscp[i]);
+ value = real(cid->c1ao->ecscp[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(c1ao->ecscp[i]);
+ value = imag(cid->c1ao->ecscp[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
for (int i = 0; i < 3; i++) {
for (int j = 0; j < 2; j++) {
- double value = gap[i][j];
+ double value = cid->gap[i][j];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = real(gapp[i][j]);
+ value = real(cid->gapp[i][j]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(gapp[i][j]);
+ value = imag(cid->gapp[i][j]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
for (int i = 0; i < 2; i++) {
for (int j = 0; j < 3; j++) {
- double value = tqce[i][j];
+ double value = cid->tqce[i][j];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = real(tqcpe[i][j]);
+ value = real(cid->tqcpe[i][j]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(tqcpe[i][j]);
+ value = imag(cid->tqcpe[i][j]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
for (int i = 0; i < 2; i++) {
for (int j = 0; j < 3; j++) {
- double value = tqcs[i][j];
+ double value = cid->tqcs[i][j];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = real(tqcps[i][j]);
+ value = real(cid->tqcps[i][j]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(tqcps[i][j]);
+ value = imag(cid->tqcps[i][j]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
for (int i = 0; i < 3; i++) {
- double value = u[i];
+ double value = cid->u[i];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = up[i];
+ value = cid->up[i];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = un[i];
+ value = cid->un[i];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
// label 254
for (int i = 0; i < 16; i++) {
- double value = real(c1->vint[i]);
+ double value = real(cid->c1->vint[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(c1->vint[i]);
+ value = imag(cid->c1->vint[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
for (int i = 0; i < 4; i++) {
for (int j = 0; j < 4; j++) {
- double value = cmul[i][j];
+ double value = cid->cmul[i][j];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
@@ -1392,24 +803,24 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
for (int ilr290 = 1; ilr290 <= 2; ilr290++) {
int ipol = (ilr290 % 2 == 0) ? 1 : -1;
if (ilr290 == 2) jlr = 1;
- double extsec = c1ao->ecsc[ilr290 - 1];
- double qext = extsec * sqsfi / c3->gcs;
- double extrat = extsec / c3->ecs;
- double scasec = c1ao->scsc[ilr290 - 1];
+ double extsec = cid->c1ao->ecsc[ilr290 - 1];
+ double qext = extsec * cid->sqsfi / cid->c3->gcs;
+ double extrat = extsec / cid->c3->ecs;
+ double scasec = cid->c1ao->scsc[ilr290 - 1];
double albedc = scasec / extsec;
- double qsca = scasec * sqsfi / c3->gcs;
- double scarat = scasec / c3->scs;
+ double qsca = scasec * cid->sqsfi / cid->c3->gcs;
+ double scarat = scasec / cid->c3->scs;
double abssec = extsec - scasec;
- double qabs = abssec * sqsfi / c3->gcs;
+ double qabs = abssec * cid->sqsfi / cid->c3->gcs;
double absrat = 1.0;
- double ratio = c3->acs / c3->ecs;
- if (ratio < -1.0e-6 || ratio > 1.0e-6) absrat = abssec / c3->acs;
- s0 = c1ao->fsac[ilr290 - 1][ilr290 - 1] * exri;
+ double ratio = cid->c3->acs / cid->c3->ecs;
+ if (ratio < -1.0e-6 || ratio > 1.0e-6) absrat = abssec / cid->c3->acs;
+ s0 = cid->c1ao->fsac[ilr290 - 1][ilr290 - 1] * exri;
double qschu = imag(s0) * csch;
double pschu = real(s0) * csch;
s0mag = cabs(s0) * cs0;
- double refinr = real(c1ao->fsac[ilr290 - 1][ilr290 - 1]) / real(c3->tfsas);
- double extcor = imag(c1ao->fsac[ilr290 - 1][ilr290 - 1]) / imag(c3->tfsas);
+ double refinr = real(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]) / real(cid->c3->tfsas);
+ double extcor = imag(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]) / imag(cid->c3->tfsas);
if (inpol == 0) {
fprintf(output, " LIN %2d\n", ipol);
} else { // label 273
@@ -1433,13 +844,13 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
);
fprintf(
output, " FSAC(%1d,%1d)=%15.7lE%15.7lE FSAC(%1d,%1d)=%15.7lE%15.7lE\n",
- ilr290, ilr290, real(c1ao->fsac[ilr290 - 1][ilr290 - 1]), imag(c1ao->fsac[ilr290 - 1][ilr290 - 1]),
- jlr, ilr290, real(c1ao->fsac[jlr - 1][ilr290 - 1]), imag(c1ao->fsac[jlr - 1][ilr290 - 1])
+ ilr290, ilr290, real(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]), imag(cid->c1ao->fsac[ilr290 - 1][ilr290 - 1]),
+ jlr, ilr290, real(cid->c1ao->fsac[jlr - 1][ilr290 - 1]), imag(cid->c1ao->fsac[jlr - 1][ilr290 - 1])
);
fprintf(
output, " SAC(%1d,%1d)=%15.7lE%15.7lE SAC(%1d,%1d)=%15.7lE%15.7lE\n",
- ilr290, ilr290, real(c1ao->sac[ilr290 - 1][ilr290 - 1]), imag(c1ao->sac[ilr290 - 1][ilr290 - 1]),
- jlr, ilr290, real(c1ao->sac[jlr - 1][ilr290 - 1]), imag(c1ao->sac[jlr - 1][ilr290 - 1])
+ ilr290, ilr290, real(cid->c1ao->sac[ilr290 - 1][ilr290 - 1]), imag(cid->c1ao->sac[ilr290 - 1][ilr290 - 1]),
+ jlr, ilr290, real(cid->c1ao->sac[jlr - 1][ilr290 - 1]), imag(cid->c1ao->sac[jlr - 1][ilr290 - 1])
);
fprintf(
output, " RE(FSAC(%1d,%1d))/RE(TFSAS)=%15.7lE, IM(FSAC(%1d,%1d))/IM(TFSAS)=%15.7lE\n",
@@ -1451,67 +862,67 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
);
bool goto190 = isam >= 0 && (jths > 1 || jphs > 1);
if (!goto190) {
- gapv[0] = gap[0][ilr290 - 1];
- gapv[1] = gap[1][ilr290 - 1];
- gapv[2] = gap[2][ilr290 - 1];
- double extins = c1ao->ecsc[ilr290 - 1];
- double scatts = c1ao->scsc[ilr290 - 1];
+ cid->gapv[0] = cid->gap[0][ilr290 - 1];
+ cid->gapv[1] = cid->gap[1][ilr290 - 1];
+ cid->gapv[2] = cid->gap[2][ilr290 - 1];
+ double extins = cid->c1ao->ecsc[ilr290 - 1];
+ double scatts = cid->c1ao->scsc[ilr290 - 1];
double rapr, cosav, fp, fn, fk, fx, fy, fz;
- rftr(u, up, un, gapv, extins, scatts, rapr, cosav, fp, fn, fk, fx, fy, fz);
+ rftr(cid->u, cid->up, cid->un, cid->gapv, extins, scatts, rapr, cosav, fp, fn, fk, fx, fy, fz);
fprintf(output, " COSAV=%15.7lE, RAPRS=%15.7lE\n", cosav, rapr);
fprintf(output, " Fl=%15.7lE, Fr=%15.7lE, Fk=%15.7lE\n", fp, fn, fk);
fprintf(output, " Fx=%15.7lE, Fy=%15.7lE, Fz=%15.7lE\n", fx, fy, fz);
- tqev[0] = tqce[ilr290 - 1][0];
- tqev[1] = tqce[ilr290 - 1][1];
- tqev[2] = tqce[ilr290 - 1][2];
- tqsv[0] = tqcs[ilr290 - 1][0];
- tqsv[1] = tqcs[ilr290 - 1][1];
- tqsv[2] = tqcs[ilr290 - 1][2];
+ cid->tqev[0] = cid->tqce[ilr290 - 1][0];
+ cid->tqev[1] = cid->tqce[ilr290 - 1][1];
+ cid->tqev[2] = cid->tqce[ilr290 - 1][2];
+ cid->tqsv[0] = cid->tqcs[ilr290 - 1][0];
+ cid->tqsv[1] = cid->tqcs[ilr290 - 1][1];
+ cid->tqsv[2] = cid->tqcs[ilr290 - 1][2];
double tep, ten, tek, tsp, tsn, tsk;
- tqr(u, up, un, tqev, tqsv, tep, ten, tek, tsp, tsn, tsk);
+ tqr(cid->u, cid->up, cid->un, cid->tqev, cid->tqsv, tep, ten, tek, tsp, tsn, tsk);
fprintf(output, " TQEl=%15.7lE, TQEr=%15.7lE, TQEk=%15.7lE\n", tep, ten, tek);
fprintf(output, " TQSl=%15.7lE, TQSr=%15.7lE, TQSk=%15.7lE\n", tsp, tsn, tsk);
fprintf(
output, " TQEx=%15.7lE, TQEy=%15.7lE, TQEz=%15.7lE\n",
- tqce[ilr290 - 1][0], tqce[ilr290 - 1][1], tqce[ilr290 - 1][2]
+ cid->tqce[ilr290 - 1][0], cid->tqce[ilr290 - 1][1], cid->tqce[ilr290 - 1][2]
);
fprintf(
output, " TQSx=%15.7lE, TQSy=%15.7lE, TQSz=%15.7lE\n",
- tqcs[ilr290 - 1][0], tqcs[ilr290 - 1][1], tqcs[ilr290 - 1][2]
+ cid->tqcs[ilr290 - 1][0], cid->tqcs[ilr290 - 1][1], cid->tqcs[ilr290 - 1][2]
);
}
} //ilr290 loop
- double rbirif = (real(c1ao->fsac[0][0]) - real(c1ao->fsac[1][1])) / real(c1ao->fsac[0][0]);
- double rdichr = (imag(c1ao->fsac[0][0]) - imag(c1ao->fsac[1][1])) / imag(c1ao->fsac[0][0]);
+ double rbirif = (real(cid->c1ao->fsac[0][0]) - real(cid->c1ao->fsac[1][1])) / real(cid->c1ao->fsac[0][0]);
+ double rdichr = (imag(cid->c1ao->fsac[0][0]) - imag(cid->c1ao->fsac[1][1])) / imag(cid->c1ao->fsac[0][0]);
fprintf(output, " (RE(FSAC(1,1))-RE(FSAC(2,2)))/RE(FSAC(1,1))=%15.7lE\n", rbirif);
fprintf(output, " (IM(FSAC(1,1))-IM(FSAC(2,2)))/IM(FSAC(1,1))=%15.7lE\n", rdichr);
fprintf(output, " MULC\n");
for (int i = 0; i < 4; i++) {
fprintf(
output, " %15.7lE%15.7lE%15.7lE%15.7lE\n",
- cmul[i][0], cmul[i][1], cmul[i][2], cmul[i][3]
+ cid->cmul[i][0], cid->cmul[i][1], cid->cmul[i][2], cid->cmul[i][3]
);
}
fprintf(output, " MULCLR\n");
for (int i = 0; i < 4; i++) {
fprintf(
output, " %15.7lE%15.7lE%15.7lE%15.7lE\n",
- cmullr[i][0], cmullr[i][1], cmullr[i][2], cmullr[i][3]
+ cid->cmullr[i][0], cid->cmullr[i][1], cid->cmullr[i][2], cid->cmullr[i][3]
);
}
if (iavm != 0) {
- mmulc(c1ao->vintm, cmullr, cmul);
+ mmulc(cid->c1ao->vintm, cid->cmullr, cid->cmul);
// Some implicit loops writing to binary.
for (int i = 0; i < 16; i++) {
double value;
- value = real(c1ao->vintm[i]);
+ value = real(cid->c1ao->vintm[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
- value = imag(c1ao->vintm[i]);
+ value = imag(cid->c1ao->vintm[i]);
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
for (int i = 0; i < 4; i++) {
for (int j = 0; j < 4; j++) {
- double value = cmul[i][j];
+ double value = cid->cmul[i][j];
tppoan.write(reinterpret_cast<char *>(&value), sizeof(double));
}
}
@@ -1526,42 +937,32 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
for (int i = 0; i < 4; i++) {
fprintf(
output, " %15.7lE%15.7lE%15.7lE%15.7lE\n",
- cmul[i][0], cmul[i][1], cmul[i][2], cmul[i][3]
+ cid->cmul[i][0], cid->cmul[i][1], cid->cmul[i][2], cid->cmul[i][3]
);
}
fprintf(output, " MULCLR\n");
for (int i = 0; i < 4; i++) {
fprintf(
output, " %15.7lE%15.7lE%15.7lE%15.7lE\n",
- cmullr[i][0], cmullr[i][1], cmullr[i][2], cmullr[i][3]
+ cid->cmullr[i][0], cid->cmullr[i][1], cid->cmullr[i][2], cid->cmullr[i][3]
);
}
}
// label 420, continues jphs loop
- if (isam < 1) phs += phsstp;
+ if (isam < 1) phs += sa->phsstp;
} // jphs loop, labeled 480
- if (isam <= 1) thsl += thsstp;
+ if (isam <= 1) thsl += sa->thsstp;
} // jths loop, labeled 482
- ph += phstp;
+ ph += sa->phstp;
} // jph484 loop
- th += thstp;
+ th += sa->thstp;
} // jth486 loop
-
- // delete[] u;
- // delete[] us;
- // delete[] un;
- // delete[] uns;
- // delete[] up;
- // delete[] ups;
- // delete[] unmp;
- // delete[] unsmp;
- // delete[] upmp;
- // delete[] upsmp;
- // delete[] am_vector;
- // delete[] am;
-
+ interval_end = chrono::high_resolution_clock::now();
+ elapsed = interval_end - interval_start;
+ message = "INFO: angle loop for scale " + to_string(jxi488) + " took " + to_string(elapsed.count()) + "s.\n";
+ logger->log(message);
+
logger->log("INFO: finished scale iteration " + to_string(jxi488) + " of " + to_string(nxi) + ".\n");
return jer;
-
}
diff --git a/src/cluster/np_cluster.cpp b/src/cluster/np_cluster.cpp
index 66fb783bc2e9d51e32b5dbc6fb0c033793348936..de9c30fea71cf4a06a5e53e5b6989f1a4f2303c9 100644
--- a/src/cluster/np_cluster.cpp
+++ b/src/cluster/np_cluster.cpp
@@ -31,7 +31,7 @@
using namespace std;
-extern void cluster(string config_file, string data_file, string output_path);
+extern void cluster(const string& config_file, const string& data_file, const string& output_path);
/*! \brief Main program entry point.
*
diff --git a/src/include/Commons.h b/src/include/Commons.h
index 90a911ebaf3c08e49e8d30b79070e46a27c34714..8f311f8c1f7647e4e9b67abe36f17bc5785198bb 100644
--- a/src/include/Commons.h
+++ b/src/include/Commons.h
@@ -99,12 +99,10 @@ public:
/*! \brief C1 instance constructor.
*
- * \param ns: `int` Number of spheres.
- * \param l_max: `int` Maximum order of field expansion.
- * \param nshl: `int *` Array of number of layers in spheres.
- * \param iog: `int *` Vector of spherical units ID numbers.
+ * \param gconf: `GeometryConfiguration *` Pointer to a geometry configuration object.
+ * \param sconf: `ScattererConfiguration *` Pointer to a scatterer configuration object.
*/
- C1(int ns, int l_max, int *nshl, int *iog);
+ C1(GeometryConfiguration *gconf, ScattererConfiguration *sconf);
/*! \brief C1 instance constructor copying all contents from a preexisting template
*
@@ -142,12 +140,10 @@ public:
/*! \brief C2 instance constructor.
*
- * \param ns: `int` Number of spheres.
- * \param nl: `int`
- * \param npnt: `int`
- * \param npntts: `int`
+ * \param gconf: `GeometryConfiguration*` Pointer to a GeometryConfiguration instance.
+ * \param sconf: `ScattererConfiguration*` Pointer to a ScattererConfiguration instance.
*/
- C2(int ns, int nl, int npnt, int npntts);
+ C2(GeometryConfiguration *gconf, ScattererConfiguration *sconf);
/*! \brief C2 instance constructor copying its contents from preexisting instance.
*
@@ -193,39 +189,44 @@ public:
*/
class C4 {
public:
- //! \brief QUESTION: definition?
+ //! \brief LITPO = 2 * LI + 1.
int litpo;
- //! \brief QUESTION: definition?
+ //! \brief LITPOS = LITPO * LITPO
int litpos;
- //! \brief Maximum field expansion order plus one. QUESTION: correct?
+ //! \brief LMPO = LM + 1.
int lmpo;
- //! \brief Twice maximum field expansion order plus one. QUESTION: correct?
+ //! \brief LMTPO = 2 * LM + 1.
int lmtpo;
- //! \brief Square of `lmtpo`.
+ //! \brief LMTPOS = LMTPO * LMTPO.
int lmtpos;
- //! \brief QUESTION: definition?
+ //! \brief Internal field expansion order.
int li;
//! \brief QUESTION: definition?
int nlim;
- //! \brief QUESTION: definition?
+ //! \brief External field expansion order.
int le;
//! \brief QUESTION: definition?
int nlem;
- //! \brief Maximum field expansion order. QUESTION: correct?
+ //! \brief Maximum field expansion order.
int lm;
//! \brief Number of spheres.
int nsph;
//! \brief QUESTION: definition?
int nv3j;
- /*! \brief C3 instance constructor.
+ /*! \brief C4 instance constructor.
+ *
+ * \param gconf: `GeometryConfiguration*` Pointer to a GeometryConfiguration instance.
*/
- C4(int li, int le, int nsph);
- /*! \brief C3 instance constructor copying its contents from a preexisting object.
+ C4(GeometryConfiguration *gconf);
+
+ /*! \brief C4 instance constructor copying its contents from a preexisting object.
+ *
+ * \param rhs: `C4&` Reference of the object to be copied.
*/
C4(const C4& rhs);
- /*! \brief C3 instance destroyer.
+ /*! \brief C4 instance destroyer.
*/
~C4();
};
@@ -268,6 +269,8 @@ public:
//! \brief QUESTION: definition?
dcomplex **am0m;
//! \brief QUESTION: definition?
+ dcomplex *am0v;
+ //! \brief QUESTION: definition?
dcomplex *vintm;
//! \brief QUESTION: definition?
dcomplex *vintt;
@@ -382,4 +385,183 @@ public:
*/
~C9();
};
+
+/*! \brief A data structure representing the information used for a single scale
+ * of the CLUSTER case.
+ */
+class ClusterIterationData {
+public:
+ //! \brief Pointer to a C1 structure.
+ C1 *c1;
+ //! \brief Pointer to a C1_AddOns structure.
+ C1_AddOns *c1ao;
+ //! \brief Pointer to a C2 structure.
+ C2 *c2;
+ //! \brief Pointer to a C3 structure.
+ C3 *c3;
+ //! brief Pointer to a C4 structure.
+ C4 *c4;
+ //! \brief Pointer to a C6 structure.
+ C6 *c6;
+ //! \brief Pointer to a C9 structure.
+ C9 *c9;
+ //! \brief Pointer to a formatted output file.
+ double *gaps;
+ double **tqse;
+ dcomplex **tqspe;
+ double **tqss;
+ dcomplex **tqsps;
+ double ****zpv;
+ double **gapm;
+ dcomplex **gappm;
+ double *argi;
+ double *args;
+ double **gap;
+ dcomplex **gapp;
+ double **tqce;
+ dcomplex **tqcpe;
+ double **tqcs;
+ dcomplex **tqcps;
+ double *duk;
+ double **cextlr;
+ double **cext;
+ double **cmullr;
+ double **cmul;
+ double *gapv;
+ double *tqev;
+ double *tqsv;
+ double *u;
+ double *us;
+ double *un;
+ double *uns;
+ double *up;
+ double *ups;
+ double *unmp;
+ double *unsmp;
+ double *upmp;
+ double *upsmp;
+ double scan;
+ double cfmp;
+ double sfmp;
+ double cfsp;
+ double sfsp;
+ double qsfi;
+ double sqsfi;
+ dcomplex *am_vector;
+ dcomplex **am;
+ dcomplex arg;
+ //! \brief Wave vector.
+ double vk;
+ //! \brief Wave number.
+ double wn;
+ double xip;
+
+ ClusterIterationData(GeometryConfiguration *gconf, ScattererConfiguration *sconf);
+
+ ClusterIterationData(const ClusterIterationData& rhs);
+
+ ~ClusterIterationData();
+};
+
+/*! \brief A data structure representing the angles to be evaluated in the problem.
+ *
+ */
+class ScatteringAngles {
+protected:
+ //! \brief Number of incident field azimuth angles.
+ int _nth;
+ //! \brief Number of scattered field azimuth angles.
+ int _nths;
+ //! \brief Number of incident field elevation angles.
+ int _nph;
+ //! \brief Number of scattered field elevation angles.
+ int _nphs;
+ //! \brief Number of incident field propagation angles.
+ int _nk;
+ //! \brief Number of scattered field propagation angles.
+ int _nks;
+ //! \brief Total number of field propagation angles.
+ int _nkks;
+ //! \brief First incident field azimuth angle.
+ double _th;
+ //! \brief Incident field azimuth angle increment.
+ double _thstp;
+ //! \brief Last incident field azimuth angle.
+ double _thlst;
+ //! \brief First scattered field azimuth angle.
+ double _ths;
+ //! \brief Scattered field azimuth angle increment.
+ double _thsstp;
+ //! \brief Last scattered field azimuth angle.
+ double _thslst;
+ //! \brief First incident field elevation angle.
+ double _ph;
+ //! \brief Incident field elevation angle increment.
+ double _phstp;
+ //! \brief Last incident field elevation angle.
+ double _phlst;
+ //! \brief First scattered field elevation angle.
+ double _phs;
+ //! \brief Scattered field elevation angle increment.
+ double _phsstp;
+ //! \brief Last scattered field elevation angle.
+ double _phslst;
+ //! \brief Azimuth scattering deflection.
+ double _thsca;
+
+public:
+ //! \brief Read only view of `_nth`.
+ const int& nth = _nth;
+ //! \brief Read only view of `_nths`.
+ const int& nths = _nths;
+ //! \brief Read only view of `_nph`.
+ const int& nph = _nph;
+ //! \brief Read only view of `_nphs`.
+ const int& nphs = _nphs;
+ //! \brief Read only view of `_nk`.
+ const int& nk = _nk;
+ //! \brief Read only view of `_nks`.
+ const int& nks = _nks;
+ //! \brief Read only view of `_nkks`.
+ const int& nkks = _nkks;
+ //! \brief Read only view of `_th`.
+ const double& th = _th;
+ //! \brief Read only view of `_thstp`.
+ const double& thstp = _thstp;
+ //! \brief Read only view of `_thlst`.
+ const double& thlst = _thlst;
+ //! \brief Read only view of `_ths`.
+ const double& ths = _ths;
+ //! \brief Read only view of `_thsstp`.
+ const double& thsstp = _thsstp;
+ //! \brief Read only view of `_thslst`.
+ const double& thslst = _thslst;
+ //! \brief Read only view of `_ph`.
+ const double& ph = _ph;
+ //! \brief Read only view of `_phstp`.
+ const double& phstp = _phstp;
+ //! \brief Read only view of `_phlst`.
+ const double& phlst = _phlst;
+ //! \brief Read only view of `_phs`.
+ const double& phs = _phs;
+ //! \brief Read only view of `_phsstp`.
+ const double& phsstp = _phsstp;
+ //! \brief Read only view of `_phslst`.
+ const double& phslst = _phslst;
+ //! \brief Read only view of `_thsca`.
+ const double& thsca = _thsca;
+
+ /*! \brief ScatteringAngles instance constructor.
+ *
+ * \param gconf: `GeometryConfiguration*` Pointer to a GeometryConfiguration object.
+ */
+ ScatteringAngles(GeometryConfiguration *gconf);
+
+ /*! \brief ScatteringAngles copy constructor.
+ *
+ * \param rhs: `ScatteringAngles&` Reference to the ScatteringAngles object to be copied.
+ */
+ ScatteringAngles(const ScatteringAngles &rhs);
+};
+
#endif
diff --git a/src/include/Configuration.h b/src/include/Configuration.h
index 2efd8b2df9e8b1fd1c14777433e5adf6e7627c1e..1c131e92e6104c856b8d882075da94f5053e3608 100644
--- a/src/include/Configuration.h
+++ b/src/include/Configuration.h
@@ -30,19 +30,6 @@
#ifndef INCLUDE_CONFIGURATION_H_
#define INCLUDE_CONFIGURATION_H_
-class ScattererConfiguration;
-class GeometryConfiguration;
-class Logger;
-class C1;
-class C1_AddOns;
-class C2;
-class C3;
-class C4;
-class C6;
-class C9;
-
-#include <fstream>
-
/**
* \brief A class to represent the configuration of the scattering geometry.
*
@@ -52,65 +39,117 @@ class C9;
* fields and their polarization properties.
*/
class GeometryConfiguration {
- //! Temporary work-around to allow cluster() and sphere() peeking in.
- friend void cluster(std::string, std::string, std::string);
- friend int cluster_jxi488_cycle(int, ScattererConfiguration *, GeometryConfiguration *, C1 *, C1_AddOns *, C2 *, C3 *, C4 *, C6 *, C9 *, std::FILE *, std::string, double *, double **, dcomplex **, double **, dcomplex **, double ****, double **, dcomplex **, int, int, int, int, int, int, int, double *, double *, double **, dcomplex **, double **, dcomplex **, double **, dcomplex **, double *, std::fstream &, double **, double **, double **, double **, double *, double *, double *, int, int, np_int, int, int, int, int, int, int, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double &, double &, double &, double &, double &, double, double, int, dcomplex, double, double, np_int, dcomplex **, int, int, Logger *);
- friend void sphere(std::string, std::string, std::string);
+
protected:
//! \brief Number of spherical components.
- int number_of_spheres;
- //! \brief Maximum expansion order of angular momentum.
- int l_max;
- //! \brief QUESTION: definition?
- int li;
- //! \brief QUESTION: definition?
- int le;
+ int _number_of_spheres;
+ //! \brief Maximum field expansion order.
+ int _l_max;
+ //! \brief Maximum internal field expansion order.
+ int _li;
+ //! \brief Maximum external field expansion order.
+ int _le;
+ //! \brief Maximum dimension of allocated matrix allowance (deprecated).
+ np_int _mxndm;
//! \brief QUESTION: definition?
- int mxndm;
- //! \brief QUESTION: definition?
- int iavm;
+ int _iavm;
//! \brief Incident field polarization status (0 - linear, 1 - circular).
- int in_pol;
+ int _in_pol;
//! \brief Number of transition points. QUESTION: correct?
- int npnt;
+ int _npnt;
//! \brief Transition smoothness. QUESTION: correct?
- int npntts;
+ int _npntts;
//! \brief Type of meridional plane definition.
- int meridional_type;
+ int _isam;
//! \brief Transition matrix layer ID. QUESTION: correct?
- int jwtm;
+ int _jwtm;
//! \brief Incident field initial azimuth.
- double in_theta_start;
+ double _in_theta_start;
//! \brief Incident field azimuth step.
- double in_theta_step;
+ double _in_theta_step;
//! \brief Incident field final azimuth.
- double in_theta_end;
+ double _in_theta_end;
//! \brief Scattered field initial azimuth.
- double sc_theta_start;
+ double _sc_theta_start;
//! \brief Scattered field azimuth step.
- double sc_theta_step;
+ double _sc_theta_step;
//! \brief Scattered field final azimuth.
- double sc_theta_end;
+ double _sc_theta_end;
//! \brief Incident field initial elevation.
- double in_phi_start;
+ double _in_phi_start;
//! \brief Incident field elevation step.
- double in_phi_step;
+ double _in_phi_step;
//! \brief Incident field final elevation.
- double in_phi_end;
+ double _in_phi_end;
//! \brief Scattered field initial elevation.
- double sc_phi_start;
+ double _sc_phi_start;
//! \brief Scattered field elevation step.
- double sc_phi_step;
+ double _sc_phi_step;
//! \brief Scattered field final elevation.
- double sc_phi_end;
+ double _sc_phi_end;
//! \brief Vector of spherical components X coordinates.
- double *sph_x;
+ double *_sph_x;
//! \brief Vector of spherical components Y coordinates.
- double *sph_y;
+ double *_sph_y;
//! \brief Vector of spherical components Z coordinates.
- double *sph_z;
+ double *_sph_z;
public:
+ //! \brief Read only view on number of spherical components.
+ const int& number_of_spheres = _number_of_spheres;
+ //! \brief Read only view on maximum field expansion order.
+ const int& l_max = _l_max;
+ //! \brief Read only view on maximum internal field expansion order.
+ const int& li = _li;
+ //! \brief Read only view on maximum external field expansion order.
+ const int& le = _le;
+ //! \brief Read only view on maximum dimension of allocated matrix allowance (deprecated).
+ const np_int& mxndm = _mxndm;
+ //! \brief QUESTION: definition?
+ const int& iavm = _iavm;
+ //! \brief Read only view on incident field polarization status (0 - linear, 1 - circular).
+ const int& in_pol = _in_pol;
+ //! \brief Read only view on number of transition points. QUESTION: correct?
+ const int& npnt = _npnt;
+ //! \brief Read only view on transition smoothness. QUESTION: correct?
+ const int& npntts = _npntts;
+ //! \brief Read only view on type of meridional plane definition.
+ const int& isam = _isam;
+ //! \brief Read only view on transition matrix layer ID. QUESTION: correct?
+ const int& jwtm = _jwtm;
+ //! \brief Read only view on incident field initial azimuth.
+ const double& in_theta_start = _in_theta_start;
+ //! \brief Read only view on incident field azimuth step.
+ const double& in_theta_step = _in_theta_step;
+ //! \brief Read only view on incident field final azimuth.
+ const double& in_theta_end = _in_theta_end;
+ //! \brief Read only view on scattered field initial azimuth.
+ const double& sc_theta_start = _sc_theta_start;
+ //! \brief Read only view on scattered field azimuth step.
+ const double& sc_theta_step = _sc_theta_step;
+ //! \brief Read only view on scattered field final azimuth.
+ const double& sc_theta_end = _sc_theta_end;
+ //! \brief Read only view on incident field initial elevation.
+ const double& in_phi_start = _in_phi_start;
+ //! \brief Read only view on incident field elevation step.
+ const double& in_phi_step = _in_phi_step;
+ //! \brief Read only view on incident field final elevation.
+ const double& in_phi_end = _in_phi_end;
+ //! \brief Read only view on scattered field initial elevation.
+ const double& sc_phi_start = _sc_phi_start;
+ //! \brief Read only view on scattered field elevation step.
+ const double& sc_phi_step = _sc_phi_step;
+ //! \brief Read only view on scattered field final elevation.
+ const double& sc_phi_end = _sc_phi_end;
+ /*
+ //! \brief Read only view on vector of spherical components X coordinates.
+ const double *sph_x = _sph_x;
+ //! \brief Read only view on vector of spherical components Y coordinates.
+ const double *sph_y = _sph_y;
+ //! \brief Read only view on vector of spherical components Z coordinates.
+ const double *sph_z = _sph_z;
+ */
+
/*! \brief Build a scattering geometry configuration structure.
*
* \param nsph: `int` Number of spheres to be used in calculation.
@@ -145,7 +184,7 @@ public:
*/
GeometryConfiguration(
int nsph, int lm, int in_pol, int npnt, int npntts, int meridional_type,
- int li, int le, int mxndm, int iavm,
+ int li, int le, np_int mxndm, int iavm,
double *x, double *y, double *z,
double in_th_start, double in_th_step, double in_th_end,
double sc_th_start, double sc_th_step, double sc_th_end,
@@ -153,11 +192,12 @@ public:
double sc_ph_start, double sc_ph_step, double sc_ph_end,
int jwtm
);
+
/*! \brief Build a scattering geometry configuration structure copying it from an existing one.
*
* \param rhs: `GeometryConfiguration` preexisting object to copy from.
*/
- GeometryConfiguration(const GeometryConfiguration& rhs);
+ GeometryConfiguration(const GeometryConfiguration& rhs);
/*! \brief Destroy a GeometryConfiguration instance.
*/
@@ -174,7 +214,37 @@ public:
* \return config: `GeometryConfiguration*` Pointer to object containing the
* configuration data.
*/
- static GeometryConfiguration *from_legacy(std::string file_name);
+ static GeometryConfiguration *from_legacy(const std::string& file_name);
+
+ /*! \brief Get the X coordinate of a sphere by its index.
+ *
+ * This is a specialized function to access the X coordinate of a sphere through
+ * its index.
+ *
+ * \param index: `int` Index of the scale to be retrieved.
+ * \return scale: `double` The X coordinate of the requested sphere.
+ */
+ double get_sph_x(int index) { return _sph_x[index]; }
+
+ /*! \brief Get the Y coordinate of a sphere by its index.
+ *
+ * This is a specialized function to access the Y coordinate of a sphere through
+ * its index.
+ *
+ * \param index: `int` Index of the scale to be retrieved.
+ * \return scale: `double` The Y coordinate of the requested sphere.
+ */
+ double get_sph_y(int index) { return _sph_y[index]; }
+
+ /*! \brief Get the Z coordinate of a sphere by its index.
+ *
+ * This is a specialized function to access the Z coordinate of a sphere through
+ * its index.
+ *
+ * \param index: `int` Index of the scale to be retrieved.
+ * \return scale: `double` The Z coordinate of the requested sphere.
+ */
+ double get_sph_z(int index) { return _sph_z[index]; }
};
/**
@@ -184,41 +254,38 @@ public:
* data to describe the scatterer properties.
*/
class ScattererConfiguration {
- //! Temporary work-around to allow cluster() and sphere() peeking in.
- friend void cluster(std::string, std::string, std::string);
- friend int cluster_jxi488_cycle(int, ScattererConfiguration *, GeometryConfiguration *, C1 *, C1_AddOns *, C2 *, C3 *, C4 *, C6 *, C9 *, std::FILE *, std::string, double *, double **, dcomplex **, double **, dcomplex **, double ****, double **, dcomplex **, int, int, int, int, int, int, int, double *, double *, double **, dcomplex **, double **, dcomplex **, double **, dcomplex **, double *, std::fstream &, double **, double **, double **, double **, double *, double *, double *, int, int, np_int, int, int, int, int, int, int, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double &, double &, double &, double &, double &, double, double, int, dcomplex, double, double, np_int, dcomplex **, int, int, Logger *);
- friend void sphere(std::string, std::string, std::string);
+
protected:
//! \brief Matrix of dielectric parameters with size [NON_TRANS_LAYERS x N_SPHERES x N_SCALES].
- dcomplex ***dc0_matrix;
+ dcomplex ***_dc0_matrix;
//! \brief Vector of sphere radii expressed in m, with size [N_SPHERES].
- double *radii_of_spheres;
+ double *_radii_of_spheres;
//! \brief Matrix of fractional transition radii with size [N_SPHERES x LAYERS].
- double **rcf;
+ double **_rcf;
//! \brief Vector of sphere ID numbers, with size [N_SPHERES].
- int *iog_vec;
+ int *_iog_vec;
//! \brief Vector of layer numbers for every sphere, with size [N_SPHERES].
- int *nshl_vec;
+ int *_nshl_vec;
//! \brief Vector of scale parameters, with size [N_SCALES].
- double *scale_vec;
+ double *_scale_vec;
//! \brief Name of the reference variable type (one of XIV, WNS, WLS, PUS, EVS).
- std::string reference_variable_name;
+ std::string _reference_variable_name;
//! \brief Number of spherical components.
- int number_of_spheres;
+ int _number_of_spheres;
//! \brief Number of configurations.
- int configurations;
+ int _configurations;
//! \brief Number of scales to use in calculation.
- int number_of_scales;
+ int _number_of_scales;
//! \brief Type of dielectric functions (<0 at XIP, =0 as function of XI, >0 constants).
- int idfc;
+ int _idfc;
//! \brief External medium dielectric constant. QUESTION: correct?
- double exdc;
+ double _exdc;
//! \brief WP. QUESTION: better definition?
- double wp;
+ double _wp;
//! \brief Peak XI. QUESTION: correct?
- double xip;
+ double _xip;
//! \brief Flag to control whether to add an external layer.
- bool use_external_sphere;
+ bool _use_external_sphere;
/*! \brief Build configuration from a HDF5 binary input file.
*
@@ -230,7 +297,7 @@ protected:
* \return config: `ScattererConfiguration*` Pointer to object containing the
* scatterer configuration data.
*/
- static ScattererConfiguration *from_hdf5(std::string file_name);
+ static ScattererConfiguration *from_hdf5(const std::string& file_name);
/*! \brief Build configuration from legacy binary input file.
*
@@ -243,7 +310,7 @@ protected:
* \return config: `ScattererConfiguration*` Pointer to object containing the
* scatterer configuration data.
*/
- static ScattererConfiguration *from_legacy(std::string file_name);
+ static ScattererConfiguration *from_legacy(const std::string& file_name);
/*! \brief Write the scatterer configuration data to HDF5 binary output.
*
@@ -253,7 +320,7 @@ protected:
*
* \param file_name: `string` Name of the binary configuration data file.
*/
- void write_hdf5(std::string file_name);
+ void write_hdf5(const std::string& file_name);
/*! \brief Write the scatterer configuration data to legacy binary output.
*
@@ -264,8 +331,27 @@ protected:
*
* \param file_name: `string` Name of the binary configuration data file.
*/
- void write_legacy(std::string file_name);
+ void write_legacy(const std::string& file_name);
public:
+ //! \brief Read only view on name of the reference variable type.
+ const std::string& reference_variable_name = _reference_variable_name;
+ //! \brief Read only view on number of spherical components.
+ const int& number_of_spheres = _number_of_spheres;
+ //! \brief Read only view on number of configurations.
+ const int& configurations = _configurations;
+ //! \brief Read only view on number of scales to use in calculation.
+ const int& number_of_scales = _number_of_scales;
+ //! \brief Read only view on type of dielectric functions.
+ const int& idfc = _idfc;
+ //! \brief Read only view on external medium dielectric constant.
+ const double& exdc = _exdc;
+ //! \brief Read only view on WP.
+ const double& wp = _wp;
+ //! \brief Read only view on peak XI.
+ const double& xip = _xip;
+ //! \brief Read only view on flag to control whether to add an external layer.
+ const bool& use_external_sphere = _use_external_sphere;
+
/*! \brief Build a scatterer configuration structure.
*
* Prepare a default configuration structure by allocating the necessary
@@ -293,7 +379,7 @@ public:
int configs,
double *scale_vector,
int nxi,
- std::string variable_name,
+ const std::string& variable_name,
int *iog_vector,
double *ros_vector,
int *nshl_vector,
@@ -305,29 +391,16 @@ public:
double wp,
double xip
);
+
/*! \brief Build a scatterer configuration structure copying its contents from a preexisting one.
*
* Prepare a default configuration structure by allocating the necessary
* memory structures.
*
- * \param nsph: `int` The number of spheres in the simulation.
- * \param scale_vector: `double*` The radiation-particle scale vector.
- * \param nxi: `int` The number of radiation-particle scalings.
- * \param variable_name: `string` The name of the radiation-particle scaling type.
- * \param iog_vector: `int*` Array of sphere identification numbers. QUESTION: correct?
- * \param ros_vector: `double*` Sphere radius array.
- * \param nshl_vector: `int*` Array of layer numbers.
- * \param rcf_vector: `double**` Array of fractional break radii. QUESTION: correct?
- * \param dielectric_func_type: `int` Type of dielectric function definition (=0 for constant,
- * \>0 as function of scale parameter, <0 for functions at XIP value and XI is scale factor
- * for dimensions).
- * \param dc_matrix: `complex double ***` Matrix of reference dielectric constants.
- * \param has_external: `bool` Flag to set whether to add an external spherical layer.
- * \param exdc: `double` External medium dielectric constant.
- * \param wp: `double` wp
- * \param xip: `double` xip
+ * \param rhs: `ScattererConfiguration&` Reference to the ScattereConfiguration
+ * object to be copied.
*/
- ScattererConfiguration(const ScattererConfiguration& rhs);
+ ScattererConfiguration(const ScattererConfiguration& rhs);
/*! \brief Destroy a scatterer configuration instance.
*/
@@ -348,7 +421,7 @@ public:
* \return config: `ScattererConfiguration*` Pointer to object containing the
* scatterer configuration data.
*/
- static ScattererConfiguration* from_binary(std::string file_name, std::string mode = "LEGACY");
+ static ScattererConfiguration* from_binary(const std::string& file_name, const std::string& mode = "LEGACY");
/*! \brief Build scatterer configuration from legacy configuration input file.
*
@@ -361,20 +434,42 @@ public:
* \return config: `ScattererConfiguration*` Pointer to object containing the
* scatterer configuration data.
*/
- static ScattererConfiguration* from_dedfb(std::string file_name);
+ static ScattererConfiguration* from_dedfb(const std::string& file_name);
- /*! \brief Get the ID of a sphere by its index.
+ /*! \brief Get the dielectric constant of a material for a specific wavelength.
*
- * The proper way to access read-only parameters from outside a class is to define
- * public methods that return their values. For arrays, particularly those that
- * are accessed multiple times, it is convenient to have specialized methods that
- * return the required values based on their index in the array.
+ * Dielectric constants are stored in a 3D complex matrix, whose dimensions map
+ * to [NUMBER_OF_CONFIGURATIONS x NUMBER_OF_SPHERES x NUMBER_OF_SCALES]. This
+ * function extracts such values from the matrix through their indices.
*
- * \param index: `int` Index of the ID to be retrieved.
- * \return id: `int` The desired identifier.
+ * \param i: `int` Index of the configuration.
+ * \param j: `int` Index of the sphere.
+ * \param k: `int` Index of the current scale.
+ * \return radius: `dcomplex` The requested dielectric constant.
+ */
+ dcomplex get_dielectric_constant(int i, int j, int k) { return _dc0_matrix[i][j][k]; }
+
+ /*! \brief Get the ID of a configuration from the index of the sphere.
+ *
+ * This is a specialized function to get a configuration ID through the index of
+ * the sphere it applies to.
+ *
+ * \param index: `int` Index of the sphere.
+ * \return ID: `int` ID of the configuration to be applied.
*/
- int get_iog(int index) { return iog_vec[index]; }
+ int get_iog(int index) { return _iog_vec[index]; }
+ /*! \brief Get the number of layers for a given configuration.
+ *
+ * This is a specialized function to get the number of layers in a specific
+ * configuration.
+ *
+ * \param index: `int` Index of the configuration.
+ * \return nl: `int` The number of layers for the given configuration.
+ */
+ int get_nshl(int index) { return _nshl_vec[index]; }
+
+ /*
/*! \brief Get the value of a parameter by name.
*
* The proper way to access read-only parameters from outside a class is to define
@@ -382,24 +477,43 @@ public:
* optimization is not critical, it is possible to define a single function that
* returns simple scalar values called by name. Access to more complicated data
* structures, on the other hand, require specialized methods which avoid the
- * burden of searching the necessary value across the whole arrya every time.
+ * burden of searching the necessary value across the whole array every time.
*
* \param param_name: `string` Name of the parameter to be retrieved.
* \return value: `double` Value of the requested parameter.
+
+ double get_param(const std::string& param_name);
+ */
+
+ /*! \brief Get the radius of a sphere by its index.
+ *
+ * This is a specialized function to get the radius of a sphere through its
+ * index.
+ *
+ * \param index: `int` Index of the ID to be retrieved.
+ * \return radius: `double` The requested sphere radius.
*/
- double get_param(std::string param_name);
+ double get_radius(int index) { return _radii_of_spheres[index]; }
/*! \brief Get the value of a scale by its index.
*
- * The proper way to access read-only parameters from outside a class is to define
- * public methods that return their values. For arrays, particularly those that
- * are accessed multiple times, it is convenient to have specialized methods that
- * return the required values based on their index in the array.
+ * This is a specialized function to access a scale (generally a wavelength),
+ * through its index.
+ *
+ * \param index: `int` Index of the scale to be retrieved.
+ * \return scale: `double` The desired scale.
+ */
+ double get_rcf(int row, int column) { return _rcf[row][column]; }
+
+ /*! \brief Get the value of a scale by its index.
+ *
+ * This is a specialized function to access a scale (generally a wavelength),
+ * through its index.
*
* \param index: `int` Index of the scale to be retrieved.
* \return scale: `double` The desired scale.
*/
- double get_scale(int index) { return scale_vec[index]; }
+ double get_scale(int index) { return _scale_vec[index]; }
/*! \brief Print the contents of the configuration object to terminal.
*
@@ -421,7 +535,7 @@ public:
* \param mode: `string` Binary encoding. Can be one of ["LEGACY", "HDF5"] . Optional
* (default is "LEGACY").
*/
- void write_binary(std::string file_name, std::string mode="LEGACY");
+ void write_binary(const std::string& file_name, const std::string& mode="LEGACY");
/*! \brief Write the scatterer configuration data to formatted text output.
*
@@ -433,7 +547,7 @@ public:
*
* \param file_name: `string` Name of the file to be written.
*/
- void write_formatted(std::string file_name);
+ void write_formatted(const std::string& file_name);
/*! \brief Test whether two instances of ScattererConfiguration are equal.
*
@@ -446,7 +560,7 @@ public:
* \param other: `ScattererConfiguration &` Reference to the instance to be compared with.
* \return result: `bool` True, if the two instances are equal, false otherwise.
*/
- bool operator ==(ScattererConfiguration &other);
+ bool operator ==(const ScattererConfiguration &other);
};
#endif
diff --git a/src/include/Parsers.h b/src/include/Parsers.h
index 5b11d9f6a383f5c941be1912d20c0fa55860ae90..247013c6925224b40845ba2cd75670015b752304 100644
--- a/src/include/Parsers.h
+++ b/src/include/Parsers.h
@@ -32,6 +32,6 @@
* \return array_lines `string*` An array of strings, one for each input
* file line.
*/
-std::string *load_file(std::string file_name, int *count);
+std::string *load_file(const std::string& file_name, int *count);
#endif /* INCLUDE_PARSERS_H_ */
diff --git a/src/include/TransitionMatrix.h b/src/include/TransitionMatrix.h
index 3966abdab0b48463eaefb256dd6d128fe84e4e75..6adb60f763132a0c1b9895709763e5506f7f2bbc 100644
--- a/src/include/TransitionMatrix.h
+++ b/src/include/TransitionMatrix.h
@@ -36,7 +36,7 @@ class TransitionMatrix {
* \return config: `TransitionMatrix *` Pointer to object containing the
* transition matrix data.
*/
- static TransitionMatrix *from_hdf5(std::string file_name);
+ static TransitionMatrix *from_hdf5(const std::string& file_name);
/*! \brief Build transition matrix from a legacy binary input file.
*
@@ -44,23 +44,102 @@ class TransitionMatrix {
* \return config: `TransitionMatrix *` Pointer to object containing the
* transition matrix data.
*/
- static TransitionMatrix *from_legacy(std::string file_name);
+ static TransitionMatrix *from_legacy(const std::string& file_name);
/*! \brief Write the Transition Matrix to HDF5 binary output.
*
- * This function takes care of the specific task of building a transition
- * matrix memory data structure from a binary input file formatted according
- * to the structure used by the original FORTRAN code.
+ * This function takes care of the specific task of writing the transition
+ * matrix memory data structure to a binary output file formatted according
+ * to the HDF5 standard.
*
* \param file_name: `string` Name of the binary configuration data file.
*/
- void write_hdf5(std::string file_name);
+ void write_hdf5(const std::string& file_name);
+
+ /*! \brief Write transition matrix data to HDF5 binary output.
+ *
+ * This function takes care of the specific task of writing the transition
+ * matrix memory data structure to a binary output file formatted according
+ * to the HDF5 standard without a pre-existing instance. It is designed to
+ * work for the case of a cluster of spheres.
+ *
+ * \param file_name: `string` Name of the binary configuration data file.
+ * \param _nlemt: `np_int` Size of the matrix (2 * LE * (LE + 2)).
+ * \param _lm: `int` Maximum field expansion order.
+ * \param _vk: `double` Wave number in scale units.
+ * \param _exri: `double` External medium refractive index.
+ * \param _am0m: `complex double **`
+ */
+ static void write_hdf5(
+ const std::string& file_name, np_int _nlemt, int _lm, double _vk,
+ double _exri, dcomplex **_am0m
+ );
+ /*! \brief Write transition matrix data to HDF5 binary output.
+ *
+ * This function takes care of the specific task of writing the transition
+ * matrix memory data structure to a binary output file formatted according
+ * to the HDF5 standard without a pre-existing instance. It is designed to
+ * work for the case of a single sphere.
+ *
+ * \param file_name: `string` Name of the binary configuration data file.
+ * \param _lm: `int` Maximum field expansion order.
+ * \param _vk: `double` Wave number in scale units.
+ * \param _exri: `double` External medium refractive index.
+ * \param _rmi: `complex double **`
+ * \param _rei: `complex double **`
+ * \param _sphere_radius: `double` Radius of the sphere.
+ */
+ static void write_hdf5(
+ const std::string& file_name, int _lm, double _vk, double _exri,
+ dcomplex **_rmi, dcomplex **_rei, double _sphere_radius
+ );
+
/*! \brief Write the Transition Matrix to legacy binary output.
*
* \param file_name: `string` Name of the binary configuration data file.
*/
- void write_legacy(std::string file_name);
+ void write_legacy(const std::string& file_name);
+
+ /*! \brief Write transition matrix data to binary output using legacy format.
+ *
+ * This function takes care of the specific task of writing the transition
+ * matrix memory data structure to a binary output file formatted according
+ * to the format used by the legacy FORTRAN code. It is designed to work for
+ * the case of clusters of spheres.
+ *
+ * \param file_name: `string` Name of the binary configuration data file.
+ * \param _nlemt: `np_int` Size of the matrix (2 * LE * (LE + 2)).
+ * \param _lm: `int` Maximum field expansion order.
+ * \param _vk: `double` Wave number in scale units.
+ * \param _exri: `double` External medium refractive index.
+ * \param _am0m: `complex double **`
+ */
+ static void write_legacy(
+ const std::string& file_name, np_int _nlemt, int _lm, double _vk,
+ double _exri, dcomplex **_am0m
+ );
+
+ /*! \brief Write transition matrix data to binary output using legacy format.
+ *
+ * This function takes care of the specific task of writing the transition
+ * matrix memory data structure to a binary output file formatted according
+ * to the original code structure without a pre-existing instance. It is designed
+ * to work for the case of a single sphere.
+ *
+ * \param file_name: `string` Name of the binary configuration data file.
+ * \param _lm: `int` Maximum field expansion order.
+ * \param _vk: `double` Wave number in scale units.
+ * \param _exri: `double` External medium refractive index.
+ * \param _rmi: `complex double **`
+ * \param _rei: `complex double **`
+ * \param _sphere_radius: `double` Radius of the sphere.
+ */
+ static void write_legacy(
+ const std::string& file_name, int _lm, double _vk, double _exri,
+ dcomplex **_rmi, dcomplex **_rei, double _sphere_radius
+ );
+
public:
/*! \brief Default Transition Matrix instance constructor.
*
@@ -126,7 +205,7 @@ class TransitionMatrix {
* \return config: `TransitionMatrix *` Pointer to object containing the transition
* matrix data.
*/
- static TransitionMatrix* from_binary(std::string file_name, std::string mode="LEGACY");
+ static TransitionMatrix* from_binary(const std::string& file_name, const std::string& mode="LEGACY");
/*! \brief Write the Transition Matrix to a binary file.
*
@@ -140,8 +219,64 @@ class TransitionMatrix {
* \param mode: `string` Binary encoding. Can be one of ["LEGACY", "HDF5"] . Optional
* (default is "LEGACY").
*/
- void write_binary(std::string file_name, std::string mode="LEGACY");
+ void write_binary(const std::string& file_name, const std::string& mode="LEGACY");
+ /*! \brief Write a cluster Transition Matrix to a binary file without instanciating it.
+ *
+ * Transition Matrix data can take a large amount of memory. For such reason, attempts
+ * to create TransitionMatrix instances only for writing purposes can create
+ * unnecessary resource consumption and computing time to duplicate the data into
+ * the output buffer. This function offers output to file as a static method. It
+ * takes the arguments of a constructor together with the usual arguments to specify
+ * the output file name and format, to write the required data directly to a file,
+ * without creating a new TransitionMatrix instance. The implementation works for
+ * TransitionMatrix objects built for the CLUSTER case. It belongs to the public class
+ * interface and it calls the proper versions of `write_legacy()` and `write_hdf5()`,
+ * depending on the requested output format.
+ *
+ * \param file_name: `string` Name of the file to be written.
+ * \param _nlemt: `np_int` Size of the matrix (2 * LE * (LE + 2)).
+ * \param _lm: `int` Maximum field expansion order.
+ * \param _vk: `double` Wave number in scale units.
+ * \param _exri: `double` External medium refractive index.
+ * \param _am0m: `complex double **`
+ * \param mode: `string` Binary encoding. Can be one of ["LEGACY", "HDF5"] . Optional
+ * (default is "LEGACY").
+ */
+ static void write_binary(
+ const std::string& file_name, np_int _nlemt, int _lm, double _vk,
+ double _exri, dcomplex **_am0m, const std::string& mode="LEGACY"
+ );
+
+ /*! \brief Write a single sphere Transition Matrix to a binary file without instanciating it.
+ *
+ * Transition Matrix data can take a large amount of memory. For such reason, attempts
+ * to create TransitionMatrix instances only for writing purposes can create
+ * unnecessary resource consumption and computing time to duplicate the data into
+ * the output buffer. This function offers output to file as a static method. It
+ * takes the arguments of a constructor together with the usual arguments to specify
+ * the output file name and format, to write the required data directly to a file,
+ * without creating a new TransitionMatrix instance. The implementation works for
+ * TransitionMatrix objects built for the single sphere case. It belongs to the public
+ * class interface and it calls the proper versions of `write_legacy()` and `write_hdf5()`,
+ * depending on the requested output format.
+ *
+ * \param file_name: `string` Name of the file to be written.
+ * \param _lm: `int` Maximum field expansion order.
+ * \param _vk: `double` Wave number in scale units.
+ * \param _exri: `double` External medium refractive index.
+ * \param _rmi: `complex double **`
+ * \param _rei: `complex double **`
+ * \param _sphere_radius: `double` Radius of the sphere.
+ * \param mode: `string` Binary encoding. Can be one of ["LEGACY", "HDF5"] . Optional
+ * (default is "LEGACY").
+ */
+ static void write_binary(
+ const std::string& file_name, int _lm, double _vk, double _exri,
+ dcomplex **_rmi, dcomplex **_rei, double _sphere_radius,
+ const std::string& mode="LEGACY"
+ );
+
/*! \brief Test whether two instances of TransitionMatrix are equal.
*
* Transition matrices can be the result of a calculation or of a file input operation,
diff --git a/src/include/clu_subs.h b/src/include/clu_subs.h
index 4621148a45de3fcd4b0107d449dbff454fd66ed3..2360c0607913b3f2939c7ce3a4219943f02bdc5d 100644
--- a/src/include/clu_subs.h
+++ b/src/include/clu_subs.h
@@ -344,14 +344,14 @@ void scr2(
* to radial coordinates, then it calls `sphar()` to calculate the vector of spherical
* harmonics of the incident field.
*
- * \param rcf: `double **` Matrix of double.
+ * \param sconf: `ScattererConfiguration *` Pointer to scatterer configuration object.
* \param c1: `C1 *` Pointer to a C1 instance.
* \param c1ao: `C1_AddOns *` Pointer to C1_AddOns instance.
* \param c3: `C3 *` Pointer to a C3 instance.
* \param c4: `C4 *` Pointer to a C4 structure.
* \param c6: `C6 *` Pointer to a C6 instance.
*/
-void str(double **rcf, C1 *c1, C1_AddOns *c1ao, C3 *c3, C4 *c4, C6 *c6);
+void str(ScattererConfiguration *sconf, C1 *c1, C1_AddOns *c1ao, C3 *c3, C4 *c4, C6 *c6);
/*! \brief Compute radiation torques on particles on a k-vector oriented system.
*
diff --git a/src/include/errors.h b/src/include/errors.h
index 8730b36b70c251e93d4d2707b8900bdcd13870e3..a986defa166fb9c7edbcdf5911f45084461e6590 100644
--- a/src/include/errors.h
+++ b/src/include/errors.h
@@ -64,7 +64,7 @@ public:
*
* \param name: `string` Name of the file that was accessed.
*/
- OpenConfigurationFileException(std::string name) { file_name = name; }
+ OpenConfigurationFileException(const std::string& name) { file_name = name; }
/**
* \brief Exception message.
@@ -86,7 +86,7 @@ public:
*
* \param problem: `string` Description of the problem that occurred.
*/
- MatrixOutOfBoundsException(std::string problem) { message = problem; }
+ MatrixOutOfBoundsException(const std::string& problem) { message = problem; }
/**
* \brief Exception message.
*/
@@ -107,7 +107,7 @@ public:
*
* \param problem: `string` Description of the problem that occurred.
*/
- UnrecognizedConfigurationException(std::string problem) { message = problem; }
+ UnrecognizedConfigurationException(const std::string& problem) { message = problem; }
/**
* \brief Exception message.
*/
@@ -128,7 +128,7 @@ public:
*
* \param problem: `string` Description of the problem that occurred.
*/
- UnrecognizedFormatException(std::string problem) { message = problem; }
+ UnrecognizedFormatException(const std::string& problem) { message = problem; }
/**
* \brief Exception message.
*/
@@ -149,7 +149,7 @@ public:
*
* \param problem: `string` Description of the problem that occurred.
*/
- UnrecognizedParameterException(std::string problem) { message = problem; }
+ UnrecognizedParameterException(const std::string& problem) { message = problem; }
/**
* \brief Exception message.
*/
diff --git a/src/include/file_io.h b/src/include/file_io.h
index a39401dd1fcaea4473543adbc166ad278e260471..e5c990083c4022c87e085c89cad2e8db213e9c42 100644
--- a/src/include/file_io.h
+++ b/src/include/file_io.h
@@ -31,7 +31,7 @@ class FileSchema {
* \param rec_types: `string *` Description of the records in the file.
* \param rec_names: `string *` Names of the records in the file.
*/
- FileSchema(int num_rec, std::string *rec_types, std::string *rec_names=NULL);
+ FileSchema(int num_rec, const std::string *rec_types, const std::string *rec_names=NULL);
/*! \brief FileSchema instance destroyer.
*/
@@ -43,12 +43,13 @@ class FileSchema {
*/
int get_record_number() { return num_records; }
- /*! \brief Get a copy of the record types.
+ /*! \brief Get a copy of the record names.
*
* \return rec_types: `string *` A new vector of strings with description of records.
*/
std::string *get_record_names();
- /*! \brief Get a copy of the record names.
+
+ /*! \brief Get a copy of the record types.
*
* \return rec_names: `string *` A new vector of strings with record names.
*/
@@ -83,7 +84,7 @@ class HDFFile {
* \param fapl_id: `hid_t` File access property list identifier (default is `H5P_DEFAULT`).
*/
HDFFile(
- std::string name, unsigned int flags=H5F_ACC_EXCL,
+ const std::string& name, unsigned int flags=H5F_ACC_EXCL,
hid_t fcpl_id=H5P_DEFAULT, hid_t fapl_id=H5P_DEFAULT
);
@@ -105,7 +106,7 @@ class HDFFile {
* \return hdf_file: `HDFFile *` Pointer to a new, open HDF5 file.
*/
static HDFFile* from_schema(
- FileSchema &schema, std::string name, unsigned int flags=H5F_ACC_EXCL,
+ FileSchema &schema, const std::string& name, unsigned int flags=H5F_ACC_EXCL,
hid_t fcpl_id=H5P_DEFAULT, hid_t fapl_id=H5P_DEFAULT
);
@@ -133,7 +134,7 @@ class HDFFile {
* \return status: `herr_t` Exit status of the operation.
*/
herr_t read(
- std::string dataset_name, std::string data_type, void *buffer,
+ const std::string& dataset_name, const std::string& data_type, void *buffer,
hid_t mem_space_id=H5S_ALL, hid_t file_space_id=H5S_ALL,
hid_t dapl_id=H5P_DEFAULT, hid_t dxpl_id=H5P_DEFAULT
);
@@ -150,7 +151,7 @@ class HDFFile {
* \return status: `herr_t` Exit status of the operation.
*/
herr_t write(
- std::string dataset_name, std::string data_type, const void *buffer,
+ const std::string& dataset_name, const std::string& data_type, const void *buffer,
hid_t mem_space_id=H5S_ALL, hid_t file_space_id=H5S_ALL,
hid_t dapl_id=H5P_DEFAULT, hid_t dxpl_id=H5P_DEFAULT
);
diff --git a/src/include/logging.h b/src/include/logging.h
index fac4d71d780848d35dd0050cda1f48d368b679c2..a8818ea4b2e6f18635e5f1b0a0345ce2d55e1c75 100644
--- a/src/include/logging.h
+++ b/src/include/logging.h
@@ -67,7 +67,7 @@ class Logger {
*
* \param message: `string` The message to be printed.
*/
- void err(std::string message);
+ void err(const std::string& message);
/*! \brief Print a summary of recurrent messages and clear the stack.
*
@@ -80,7 +80,7 @@ class Logger {
* \param message: `string` The message to be printed.
* \param level: `int` The priority level (default is `LOG_INFO = 1`).
*/
- void log(std::string message, int level=LOG_INFO);
+ void log(const std::string& message, int level=LOG_INFO);
/*! \brief Push a recurrent message to the message stack.
*
@@ -92,7 +92,7 @@ class Logger {
*
* \param message: `string` The message to be stacked.
*/
- void push(std::string message);
+ void push(const std::string& message);
};
#endif
diff --git a/src/include/tfrfme.h b/src/include/tfrfme.h
index 2e55c4822b1d186bb7a8094e6ba89aafa46f176c..8f271819242be698c859d58ff3956e12c465cf82 100644
--- a/src/include/tfrfme.h
+++ b/src/include/tfrfme.h
@@ -27,26 +27,26 @@ protected:
* \param file_name: `string` Name of the file to be loaded.
* \return instance: `Swap1 *` Pointer to a new Swap1 instance.
*/
- static Swap1 *from_hdf5(std::string file_name);
+ static Swap1 *from_hdf5(const std::string& file_name);
/*! \brief Load a Swap1 instance from a legacy binary file.
*
* \param file_name: `string` Name of the file to be loaded.
* \return instance: `Swap1 *` Pointer to a new Swap1 instance.
*/
- static Swap1 *from_legacy(std::string file_name);
+ static Swap1 *from_legacy(const std::string& file_name);
/*! \brief Save a Swap1 instance to a HDF5 binary file.
*
* \param file_name: `string` Name of the file to be written.
*/
- void write_hdf5(std::string file_name);
+ void write_hdf5(const std::string& file_name);
/*! \brief Save a Swap1 instance to a legacy binary file.
*
* \param file_name: `string` Name of the file to be written.
*/
- void write_legacy(std::string file_name);
+ void write_legacy(const std::string& file_name);
public:
/*! \brief Swap1 instance constructor.
@@ -73,7 +73,7 @@ public:
* or "LGEACY". Default is "LEGACY").
* \return instance: `Swap1 *` Pointer to a newly created Swap1 instance.
*/
- static Swap1* from_binary(std::string file_name, std::string mode="LEGACY");
+ static Swap1* from_binary(const std::string& file_name, const std::string& mode="LEGACY");
/*! \brief Calculate the necessary amount of memory to create a new instance.
*
@@ -99,7 +99,7 @@ public:
* \param mode: `string` Format of the file (can be either "HDF5"
* or "LGEACY". Default is "LEGACY").
*/
- void write_binary(std::string file_name, std::string mode="LEGACY");
+ void write_binary(const std::string& file_name, const std::string& mode="LEGACY");
/*! \brief Test whether two instances of Swap1 are equal.
*
@@ -157,26 +157,26 @@ protected:
* \param file_name: `string` Name of the file to be loaded.
* \return instance: `Swap2 *` Pointer to a new Swap2 instance.
*/
- static Swap2 *from_hdf5(std::string file_name);
+ static Swap2 *from_hdf5(const std::string& file_name);
/*! \brief Load a Swap2 instance from a legacy binary file.
*
* \param file_name: `string` Name of the file to be loaded.
* \return instance: `Swap2 *` Pointer to a new Swap2 instance.
*/
- static Swap2 *from_legacy(std::string file_name);
+ static Swap2 *from_legacy(const std::string& file_name);
/*! \brief Save a Swap2 instance to a HDF5 binary file.
*
* \param file_name: `string` Name of the file to be written.
*/
- void write_hdf5(std::string file_name);
+ void write_hdf5(const std::string& file_name);
/*! \brief Save a Swap2 instance to a legacy binary file.
*
* \param file_name: `string` Name of the file to be written.
*/
- void write_legacy(std::string file_name);
+ void write_legacy(const std::string& file_name);
public:
/*! \brief Swap2 instance constructor.
@@ -196,7 +196,7 @@ public:
* or "LGEACY". Default is "LEGACY").
* \return instance: `Swap2 *` Pointer to a newly created Swap2 instance.
*/
- static Swap2* from_binary(std::string file_name, std::string mode="LEGACY");
+ static Swap2* from_binary(const std::string& file_name, const std::string& mode="LEGACY");
/*! \brief Get the pointer to the VKZM matrix.
*
@@ -216,7 +216,7 @@ public:
* \param param_name: `string` Name of the parameter.
* \return value: `double` The value of the requested parameter.
*/
- double get_param(std::string param_name);
+ double get_param(const std::string& param_name);
/*! \brief Get the pointer to the VKV vector.
*
@@ -249,7 +249,7 @@ public:
* \param param_name: `string` Name of the parameter.
* \param value: `double` The value of the parameter.
*/
- void set_param(std::string param_name, double value);
+ void set_param(const std::string& param_name, double value);
/*! \brief Write a Swap2 instance to binary file.
*
@@ -257,7 +257,7 @@ public:
* \param mode: `string` Format of the file (can be either "HDF5"
* or "LGEACY". Default is "LEGACY").
*/
- void write_binary(std::string file_name, std::string mode="LEGACY");
+ void write_binary(const std::string& file_name, const std::string& mode="LEGACY");
/*! \brief Test whether two instances of Swap2 are equal.
*
@@ -321,7 +321,7 @@ protected:
* \return instance: `TFRFME *` Pointer to a new trapping configuration
* instance.
*/
- static TFRFME *from_hdf5(std::string file_name);
+ static TFRFME *from_hdf5(const std::string& file_name);
/*! \brief Load a configuration instance from a legacy binary file.
*
@@ -329,19 +329,19 @@ protected:
* \return instance: `TFRFME *` Pointer to a new trapping configuration
* instance.
*/
- static TFRFME *from_legacy(std::string file_name);
+ static TFRFME *from_legacy(const std::string& file_name);
/*! \brief Save a configuration instance to a HDF5 binary file.
*
* \param file_name: `string` Name of the file to be written.
*/
- void write_hdf5(std::string file_name);
+ void write_hdf5(const std::string& file_name);
/*! \brief Save a configuration instance to a legacy binary file.
*
* \param file_name: `string` Name of the file to be written.
*/
- void write_legacy(std::string file_name);
+ void write_legacy(const std::string& file_name);
public:
/*! \brief Trapping configuration instance constructor.
@@ -369,7 +369,7 @@ public:
* \return instance: `TFRFME *` Pointer to a newly created configuration
* instance.
*/
- static TFRFME* from_binary(std::string file_name, std::string mode="LEGACY");
+ static TFRFME* from_binary(const std::string& file_name, const std::string& mode="LEGACY");
/*! \brief Get the pointer to the WSUM matrix.
*
@@ -397,7 +397,7 @@ public:
* \param param_name: `string` Name of the parameter.
* \return value: `double` The value of the requested parameter.
*/
- double get_param(std::string param_name);
+ double get_param(const std::string& param_name);
/*! \brief Get the pointer to the X coordinates vector.
*
@@ -422,7 +422,7 @@ public:
* \param param_name: `string` Name of the parameter.
* \param value: `double` Value to be stored as parameter.
*/
- void set_param(std::string param_name, double value);
+ void set_param(const std::string& param_name, double value);
/*! \brief Write a trapping configuration instance to binary file.
*
@@ -430,7 +430,7 @@ public:
* \param mode: `string` Format of the file (can be either "HDF5"
* or "LGEACY". Default is "LEGACY").
*/
- void write_binary(std::string file_name, std::string mode="LEGACY");
+ void write_binary(const std::string& file_name, const std::string& mode="LEGACY");
/*! \brief Test whether two instances of configuration are equal.
*
@@ -439,6 +439,6 @@ public:
* \return result: `bool` True, if the two instances are equal,
* false otherwise.
*/
- bool operator ==(TFRFME &other);
+ bool operator ==(const TFRFME& other);
};
#endif
diff --git a/src/libnptm/Commons.cpp b/src/libnptm/Commons.cpp
index b10496381e7c340b8ae818d664ba8bd7673b4914..cff015719fd91bdb76e8072da99a0fce058fce17 100644
--- a/src/libnptm/Commons.cpp
+++ b/src/libnptm/Commons.cpp
@@ -2,28 +2,29 @@
/*! \file Commons.cpp
*
- * DEVELOPMENT NOTE:
- * The construction of common blocks requires some information
- * that is stored in configuration objects and is needed to compute
- * the allocation size of vectors and matrices. Currently, this
- * information is passed as arguments to the constructors of the
- * common blocks. A simpler and more logical way to operate would
- * be to design the constructors to take as arguments only pointers
- * to the configuration objects. These, on their turn, need to
- * expose methods to access the relevant data in read-only mode.
+ * \brief Implementation of the common data structures.
*/
#ifndef INCLUDE_TYPES_H_
#include "../include/types.h"
#endif
+#ifndef INCLUDE_CONFIGURATION_H_
+#include "../include/Configuration.h"
+#endif
+
#ifndef INCLUDE_COMMONS_H
#include "../include/Commons.h"
#endif
-C1::C1(int ns, int l_max, int *_nshl, int *_iog) {
- nlmmt = 2 * (l_max * (l_max + 2));
- nsph = ns;
- lm = l_max;
+C1::C1(GeometryConfiguration *gconf, ScattererConfiguration *sconf) {
+ lm = gconf->l_max;
+ int li = gconf->li;
+ int le = gconf->le;
+ if (lm == 0) {
+ lm = (li > le) ? li : le;
+ }
+ nsph = gconf->number_of_spheres;
+ nlmmt = 2 * (lm * (lm + 2));
vec_rmi = new dcomplex[nsph * lm]();
vec_rei = new dcomplex[nsph * lm]();
@@ -36,23 +37,20 @@ C1::C1(int ns, int l_max, int *_nshl, int *_iog) {
vec_w = new dcomplex[4 * nlmmt]();
w = new dcomplex*[nlmmt];
for (int wi = 0; wi < nlmmt; wi++) w[wi] = &(vec_w[4 * wi]);
- configurations = 0;
- for (int ci = 1; ci <= nsph; ci++) {
- if (_iog[ci - 1] >= ci) configurations++;
- }
+ configurations = sconf->configurations;
vint = new dcomplex[16]();
vec_vints = new dcomplex[nsph * 16]();
vints = new dcomplex*[nsph];
- rc = new double*[nsph];
- nshl = new int[nsph]();
+ rc = new double*[configurations];
+ nshl = new int[configurations]();
iog = new int[nsph]();
int conf_index = 0;
for (int vi = 0; vi < nsph; vi++) {
vints[vi] = &(vec_vints[vi * 16]);
- iog[vi] = _iog[vi];
+ iog[vi] = sconf->get_iog(vi);
if (iog[vi] >= vi + 1) {
- nshl[conf_index] = _nshl[conf_index];
- rc[conf_index] = new double[_nshl[conf_index]]();
+ nshl[conf_index] = sconf->get_nshl(conf_index);
+ rc[conf_index] = new double[nshl[conf_index]]();
conf_index++;
}
}
@@ -67,7 +65,17 @@ C1::C1(int ns, int l_max, int *_nshl, int *_iog) {
rxx = new double[nsph]();
ryy = new double[nsph]();
rzz = new double[nsph]();
- ros = new double[nsph]();
+ if (nsph > 1) {
+ for (int c1i = 0; c1i < nsph; c1i++) {
+ rxx[c1i] = gconf->get_sph_x(c1i);
+ ryy[c1i] = gconf->get_sph_y(c1i);
+ rzz[c1i] = gconf->get_sph_z(c1i);
+ }
+ }
+ ros = new double[configurations]();
+ for (int ri = 0; ri < configurations; ri++) {
+ ros[ri] = sconf->get_radius(ri);
+ }
sas = new dcomplex**[nsph];
for (int si = 0; si < nsph; si++) {
@@ -209,9 +217,10 @@ C1_AddOns::C1_AddOns(C4 *c4) {
vj = new dcomplex[1]();
vyhj = new dcomplex[(nsph * nsph - 1) * litpos]();
vyj0 = new dcomplex[nsph * lmtpos]();
+ am0v = new dcomplex[nlemt * nlemt]();
am0m = new dcomplex*[nlemt];
for (int ai = 0; ai < nlemt; ai++) {
- am0m[ai] = new dcomplex[nlemt]();
+ am0m[ai] = (am0v + nlemt * ai);
}
vintm = new dcomplex[16]();
vintt = new dcomplex[16]();
@@ -263,10 +272,11 @@ C1_AddOns::C1_AddOns(const C1_AddOns& rhs) {
int vyj0size = nsph * lmtpos;
vyj0 = new dcomplex[vyj0size]();
for (int hi=0; hi<vyj0size; hi++) vyj0[hi] = rhs.vyj0[hi];
+ am0v = new dcomplex[nlemt * nlemt]();
am0m = new dcomplex*[nlemt];
for (int ai = 0; ai < nlemt; ai++) {
- am0m[ai] = new dcomplex[nlemt]();
- for (int aj = 0; aj < nlemt; aj++) am0m[ai][aj] = rhs.am0m[ai][aj];
+ for (int aj = 0; aj < nlemt; aj++) am0v[nlemt * ai + aj] = rhs.am0v[nlemt * ai + aj];
+ am0m[ai] = (am0v + nlemt * ai);
}
vintm = new dcomplex[16]();
vintt = new dcomplex[16]();
@@ -326,10 +336,8 @@ C1_AddOns::~C1_AddOns() {
delete[] vh;
delete[] vj0;
delete[] vj;
- for (int ai = nlemt - 1; ai > -1; ai--) {
- delete[] am0m[ai];
- }
delete[] am0m;
+ delete[] am0v;
delete[] vintm;
delete[] vintt;
for (int fi = 1; fi > -1; fi--) {
@@ -350,11 +358,14 @@ C1_AddOns::~C1_AddOns() {
delete[] ecsc;
}
-C2::C2(int ns, int _nl, int npnt, int npntts) {
- nsph = ns;
+C2::C2(GeometryConfiguration *gconf, ScattererConfiguration *sconf) {
+ nsph = gconf->number_of_spheres;
+ int npnt = gconf->npnt;
+ int npntts = gconf->npntts;
int max_n = (npnt > npntts) ? npnt : npntts;
nhspo = 2 * max_n - 1;
- nl = _nl;
+ nl = sconf->configurations;
+ if (nsph == 1 && nl == 1) nl = 5;
ris = new dcomplex[nhspo]();
dlri = new dcomplex[nhspo]();
vkt = new dcomplex[nsph]();
@@ -420,20 +431,20 @@ C3::~C3() {
delete[] tsas;
}
-C4::C4(int _li, int _le, int _nsph) {
- li = _li;
- le = _le;
- lm = (li > le) ? li : le;
- nv3j = (lm * (lm + 1) * (2 * lm + 7)) / 6;
- nsph = _nsph;
- // The following is needed to initialize C1_AddOns
- litpo = li + li + 1;
- litpos = litpo * litpo;
- lmtpo = li + le + 1;
- lmtpos = lmtpo * lmtpo;
- nlim = li * (li + 2);
- nlem = le * (le + 2);
- lmpo = lm + 1;
+C4::C4(GeometryConfiguration *gconf) {
+ li = gconf->li;
+ le = gconf->le;
+ lm = (li > le) ? li : le;
+ nv3j = (lm * (lm + 1) * (2 * lm + 7)) / 6;
+ nsph = gconf->number_of_spheres;
+ // The following is needed to initialize C1_AddOns
+ litpo = li + li + 1;
+ litpos = litpo * litpo;
+ lmtpo = li + le + 1;
+ lmtpos = lmtpo * lmtpo;
+ nlim = li * (li + 2);
+ nlem = le * (le + 2);
+ lmpo = lm + 1;
}
C4::C4(const C4& rhs) {
@@ -517,3 +528,387 @@ C9::~C9() {
for (int si = sam_size_0 - 1; si > -1; si--) delete[] sam[si];
delete[] sam;
}
+
+ClusterIterationData::ClusterIterationData(GeometryConfiguration *gconf, ScattererConfiguration *sconf) {
+ c1 = new C1(gconf, sconf);
+ c2 = new C2(gconf, sconf);
+ c3 = new C3();
+ c4 = new C4(gconf);
+ c1ao = new C1_AddOns(c4);
+ c6 = new C6(c4->lmtpo);
+ const int ndi = c4->nsph * c4->nlim;
+ const np_int ndit = 2 * ndi;
+ c9 = new C9(ndi, c4->nlem, 2 * ndi, 2 * c4->nlem);
+ gaps = new double[c4->nsph]();
+ tqev = new double[3]();
+ tqsv = new double[3]();
+ tqse = new double*[2];
+ tqspe = new dcomplex*[2];
+ tqss = new double*[2];
+ tqsps = new dcomplex*[2];
+ tqce = new double*[2];
+ tqcpe = new dcomplex*[2];
+ tqcs = new double*[2];
+ tqcps = new dcomplex*[2];
+ for (int ti = 0; ti < 2; ti++) {
+ tqse[ti] = new double[c4->nsph]();
+ tqspe[ti] = new dcomplex[c4->nsph]();
+ tqss[ti] = new double[c4->nsph]();
+ tqsps[ti] = new dcomplex[c4->nsph]();
+ tqce[ti] = new double[3]();
+ tqcpe[ti] = new dcomplex[3]();
+ tqcs[ti] = new double[3]();
+ tqcps[ti] = new dcomplex[3]();
+ }
+ gapv = new double[3]();
+ gapp = new dcomplex*[3];
+ gappm = new dcomplex*[3];
+ gap = new double*[3];
+ gapm = new double*[3];
+ for (int gi = 0; gi < 3; gi++) {
+ gapp[gi] = new dcomplex[2]();
+ gappm[gi] = new dcomplex[2]();
+ gap[gi] = new double[2]();
+ gapm[gi] = new double[2]();
+ }
+ u = new double[3]();
+ us = new double[3]();
+ un = new double[3]();
+ uns = new double[3]();
+ up = new double[3]();
+ ups = new double[3]();
+ unmp = new double[3]();
+ unsmp = new double[3]();
+ upmp = new double[3]();
+ upsmp = new double[3]();
+ argi = new double[1]();
+ args = new double[1]();
+ duk = new double[3]();
+ cextlr = new double*[4];
+ cext = new double*[4];
+ cmullr = new double*[4];;
+ cmul = new double*[4];
+ for (int ci = 0; ci < 4; ci++) {
+ cextlr[ci] = new double[4]();
+ cext[ci] = new double[4]();
+ cmullr[ci] = new double[4]();
+ cmul[ci] = new double[4]();
+ }
+ zpv = new double***[c4->lm];
+ for (int zi = 0; zi < c4->lm; zi++) {
+ zpv[zi] = new double**[3];
+ for (int zj = 0; zj < 3; zj++) {
+ zpv[zi][zj] = new double*[2];
+ for (int zk = 0; zk < 2; zk++) {
+ zpv[zi][zj][zk] = new double[2]();
+ }
+ }
+ }
+ am_vector = new dcomplex[ndit * ndit]();
+ am = new dcomplex*[ndit];
+ for (int ai = 0; ai < ndit; ai++) {
+ am[ai] = (am_vector + ai * ndit);
+ }
+
+ arg = 0.0 + 0.0 * I;
+ // These are suspect initializations
+ scan = 0.0;
+ cfmp = 0.0;
+ sfmp = 0.0;
+ cfsp = 0.0;
+ sfsp = 0.0;
+ qsfi = 0.0;
+ // End of suspect initializations
+ wn = sconf->wp / 3.0e8;
+ xip = sconf->xip;
+ sqsfi = 1.0;
+ vk = 0.0;
+}
+
+ClusterIterationData::ClusterIterationData(const ClusterIterationData& rhs) {
+ c1 = new C1(*(rhs.c1));
+ c2 = new C2(*(rhs.c2));
+ c3 = new C3(*(rhs.c3));
+ c4 = new C4(*(rhs.c4));
+ c1ao = new C1_AddOns(*(rhs.c1ao));
+ c6 = new C6(*(rhs.c6));
+ const int ndi = c4->nsph * c4->nlim;
+ const np_int ndit = 2 * ndi;
+ c9 = new C9(*(rhs.c9));
+ gaps = new double[c4->nsph]();
+ for (int gi = 0; gi < c4->nsph; gi++) gaps[gi] = rhs.gaps[gi];
+ tqev = new double[3]();
+ tqsv = new double[3]();
+ for (int ti = 0; ti < 3; ti++) {
+ tqev[ti] = rhs.tqev[ti];
+ tqsv[ti] = rhs.tqsv[ti];
+ }
+ tqse = new double*[2];
+ tqspe = new dcomplex*[2];
+ tqss = new double*[2];
+ tqsps = new dcomplex*[2];
+ tqce = new double*[2];
+ tqcpe = new dcomplex*[2];
+ tqcs = new double*[2];
+ tqcps = new dcomplex*[2];
+ for (int ti = 0; ti < 2; ti++) {
+ tqse[ti] = new double[c4->nsph]();
+ tqspe[ti] = new dcomplex[c4->nsph]();
+ tqss[ti] = new double[c4->nsph]();
+ tqsps[ti] = new dcomplex[c4->nsph]();
+ for (int tj = 0; tj < c4->nsph; tj++) {
+ tqse[ti][tj] = rhs.tqse[ti][tj];
+ tqspe[ti][tj] = rhs.tqspe[ti][tj];
+ tqss[ti][tj] = rhs.tqss[ti][tj];
+ tqsps[ti][tj] = rhs.tqsps[ti][tj];
+ }
+ tqce[ti] = new double[3]();
+ tqcpe[ti] = new dcomplex[3]();
+ tqcs[ti] = new double[3]();
+ tqcps[ti] = new dcomplex[3]();
+ for (int tj = 0; tj < 3; tj++) {
+ tqce[ti][tj] = rhs.tqce[ti][tj];
+ tqcpe[ti][tj] = rhs.tqcpe[ti][tj];
+ tqcs[ti][tj] = rhs.tqcs[ti][tj];
+ tqcps[ti][tj] = rhs.tqcps[ti][tj];
+ }
+ }
+ gapv = new double[3]();
+ gapp = new dcomplex*[3];
+ gappm = new dcomplex*[3];
+ gap = new double*[3];
+ gapm = new double*[3];
+ for (int gi = 0; gi < 3; gi++) {
+ gapv[gi] = rhs.gapv[gi];
+ gapp[gi] = new dcomplex[2]();
+ gappm[gi] = new dcomplex[2]();
+ gap[gi] = new double[2]();
+ gapm[gi] = new double[2]();
+ for (int gj = 0; gj < 2; gj++) {
+ gapp[gi][gj] = rhs.gapp[gi][gj];
+ gappm[gi][gj] = rhs.gappm[gi][gj];
+ gap[gi][gj] = rhs.gap[gi][gj];
+ gapm[gi][gj] = rhs.gapm[gi][gj];
+ }
+ }
+ u = new double[3]();
+ us = new double[3]();
+ un = new double[3]();
+ uns = new double[3]();
+ up = new double[3]();
+ ups = new double[3]();
+ unmp = new double[3]();
+ unsmp = new double[3]();
+ upmp = new double[3]();
+ upsmp = new double[3]();
+ duk = new double[3]();
+ for (int ui = 0; ui < 3; ui++) {
+ u[ui] = rhs.u[ui];
+ us[ui] = rhs.us[ui];
+ un[ui] = rhs.un[ui];
+ uns[ui] = rhs.uns[ui];
+ up[ui] = rhs.up[ui];
+ ups[ui] = rhs.ups[ui];
+ unmp[ui] = rhs.unmp[ui];
+ unsmp[ui] = rhs.unsmp[ui];
+ upmp[ui] = rhs.upmp[ui];
+ upsmp[ui] = rhs.upsmp[ui];
+ duk[ui] = rhs.duk[ui];
+ }
+ argi = new double[1]();
+ args = new double[1]();
+ argi[0] = rhs.argi[0];
+ args[0] = rhs.args[0];
+ cextlr = new double*[4];
+ cext = new double*[4];
+ cmullr = new double*[4];;
+ cmul = new double*[4];
+ for (int ci = 0; ci < 4; ci++) {
+ cextlr[ci] = new double[4]();
+ cext[ci] = new double[4]();
+ cmullr[ci] = new double[4]();
+ cmul[ci] = new double[4]();
+ for (int cj = 0; cj < 4; cj++) {
+ cextlr[ci][cj] = rhs.cextlr[ci][cj];
+ cext[ci][cj] = rhs.cext[ci][cj];
+ cmullr[ci][cj] = rhs.cmullr[ci][cj];
+ cmul[ci][cj] = rhs.cmul[ci][cj];
+ }
+ }
+ zpv = new double***[c4->lm];
+ for (int zi = 0; zi < c4->lm; zi++) {
+ zpv[zi] = new double**[3];
+ for (int zj = 0; zj < 3; zj++) {
+ zpv[zi][zj] = new double*[2];
+ for (int zk = 0; zk < 2; zk++) {
+ zpv[zi][zj][zk] = new double[2]();
+ zpv[zi][zj][zk][0] = rhs.zpv[zi][zj][zk][0];
+ zpv[zi][zj][zk][1] = rhs.zpv[zi][zj][zk][1];
+ }
+ }
+ }
+ am_vector = new dcomplex[ndit * ndit]();
+ for (np_int ai = 0; ai < ndit * ndit; ai++) am_vector[ai] = rhs.am_vector[ai];
+ am = new dcomplex*[ndit];
+ for (np_int ai = 0; ai < ndit; ai++) {
+ am[ai] = (am_vector + ai * ndit);
+ }
+
+ arg = rhs.arg;
+ // These are suspect initializations
+ scan = rhs.scan;
+ cfmp = rhs.cfmp;
+ sfmp = rhs.sfmp;
+ cfsp = rhs.cfsp;
+ sfsp = rhs.sfsp;
+ qsfi = rhs.qsfi;
+ // End of suspect initializations
+ wn = rhs.wn;
+ xip = rhs.xip;
+ sqsfi = rhs.sqsfi;
+ vk = rhs.vk;
+}
+
+ClusterIterationData::~ClusterIterationData() {
+ const int nsph = c4->nsph;
+ delete[] am_vector;
+ delete[] am;
+ for (int zi = c4->lm - 1; zi > -1; zi--) {
+ for (int zj = 2; zj > -1; zj--) {
+ delete[] zpv[zi][zj][1];
+ delete[] zpv[zi][zj][0];
+ delete[] zpv[zi][zj];
+ }
+ delete[] zpv[zi];
+ }
+ delete[] zpv;
+ delete c1;
+ delete c1ao;
+ delete c2;
+ delete c3;
+ delete c4;
+ delete c6;
+ delete c9;
+ delete[] gaps;
+ for (int ti = 1; ti > -1; ti--) {
+ delete[] tqse[ti];
+ delete[] tqss[ti];
+ delete[] tqspe[ti];
+ delete[] tqsps[ti];
+ delete[] tqce[ti];
+ delete[] tqcpe[ti];
+ delete[] tqcs[ti];
+ delete[] tqcps[ti];
+ }
+ delete[] tqse;
+ delete[] tqss;
+ delete[] tqspe;
+ delete[] tqsps;
+ delete[] tqce;
+ delete[] tqcpe;
+ delete[] tqcs;
+ delete[] tqcps;
+ delete[] tqev;
+ delete[] tqsv;
+ for (int gi = 2; gi > -1; gi--) {
+ delete[] gapp[gi];
+ delete[] gappm[gi];
+ delete[] gap[gi];
+ delete[] gapm[gi];
+ }
+ delete[] gapp;
+ delete[] gappm;
+ delete[] gap;
+ delete[] gapm;
+ delete[] gapv;
+ delete[] u;
+ delete[] us;
+ delete[] un;
+ delete[] uns;
+ delete[] up;
+ delete[] ups;
+ delete[] unmp;
+ delete[] unsmp;
+ delete[] upmp;
+ delete[] upsmp;
+ delete[] argi;
+ delete[] args;
+ delete[] duk;
+ for (int ci = 3; ci > -1; ci--) {
+ delete[] cextlr[ci];
+ delete[] cext[ci];
+ delete[] cmullr[ci];
+ delete[] cmul[ci];
+ }
+ delete[] cextlr;
+ delete[] cext;
+ delete[] cmullr;
+ delete[] cmul;
+}
+
+ScatteringAngles::ScatteringAngles(GeometryConfiguration *gconf) {
+ int isam = gconf->isam;
+ _th = gconf->in_theta_start;
+ _thstp = gconf->in_theta_step;
+ _thlst = gconf->in_theta_end;
+ _ths = gconf->sc_theta_start;
+ _thsstp = gconf->sc_theta_step;
+ _thslst = gconf->sc_theta_end;
+ _ph = gconf->in_phi_start;
+ _phstp = gconf->in_phi_step;
+ _phlst = gconf->in_phi_end;
+ _phs = gconf->sc_phi_start;
+ _phsstp = gconf->sc_phi_step;
+ _phslst = gconf->sc_phi_end;
+ double small = 1.0e-3;
+ _nth = 0;
+ _nph = 0;
+ if (_thstp != 0.0) _nth = int((_thlst - _th) / _thstp + small);
+ _nth++;
+ if (_phstp != 0.0) _nph = int((_phlst - _ph) / _phstp + small);
+ _nph++;
+ _nths = 0;
+ _nphs = 0;
+ _thsca = 0.0;
+ if (isam > 1) {
+ _nths = 1;
+ _thsca = _ths - _th;
+ } else { // ISAM <= 1
+ if (_thsstp == 0.0) _nths = 0;
+ else _nths = int ((_thslst - _ths) / _thsstp + small);
+ _nths++;
+ }
+ if (isam >= 1) {
+ _nphs = 1;
+ } else {
+ if (_phsstp == 0.0) _nphs = 0;
+ else _nphs = int((_phslst - _phs) / _phsstp + small);
+ _nphs++;
+ }
+ _nk = nth * nph;
+ _nks = nths * nphs;
+ _nkks = nk * nks;
+}
+
+ScatteringAngles::ScatteringAngles(const ScatteringAngles &rhs) {
+ _th = rhs._th;
+ _thstp = rhs._thstp;
+ _thlst = rhs._thlst;
+ _ths = rhs._ths;
+ _thsstp = rhs._thsstp;
+ _thslst = rhs._thslst;
+ _ph = rhs._ph;
+ _phstp = rhs._phstp;
+ _phlst = rhs._phlst;
+ _phs = rhs._phs;
+ _phsstp = rhs._phsstp;
+ _phslst = rhs._phslst;
+ _nth = rhs._nth;
+ _nph = rhs._nph;
+ _nths = rhs._nths;
+ _nphs = rhs._nphs;
+ _thsca = rhs._thsca;
+ _nk = rhs._nk;
+ _nks = rhs._nks;
+ _nkks = rhs._nkks;
+}
diff --git a/src/libnptm/Configuration.cpp b/src/libnptm/Configuration.cpp
index 80fb5ecd92f49faa4b17d6febd2d155d65db5ee9..704d4eca13b96e486c332c3982bf18f861f31c2f 100644
--- a/src/libnptm/Configuration.cpp
+++ b/src/libnptm/Configuration.cpp
@@ -40,84 +40,85 @@
using namespace std;
GeometryConfiguration::GeometryConfiguration(
- int _nsph, int _lm, int _in_pol, int _npnt, int _npntts, int _isam,
- int _li, int _le, int _mxndm, int _iavm,
+ int nsph, int lm, int in_pol, int npnt, int npntts, int isam,
+ int li, int le, np_int mxndm, int iavm,
double *x, double *y, double *z,
double in_th_start, double in_th_step, double in_th_end,
double sc_th_start, double sc_th_step, double sc_th_end,
double in_ph_start, double in_ph_step, double in_ph_end,
double sc_ph_start, double sc_ph_step, double sc_ph_end,
- int _jwtm
+ int jwtm
) {
- number_of_spheres = _nsph;
- l_max = _lm;
- in_pol = _in_pol;
- npnt = _npnt;
- npntts = _npntts;
- meridional_type = _isam;
- li = _li;
- le = _le;
- mxndm = _mxndm;
- iavm = _iavm;
- in_theta_start = in_th_start;
- in_theta_step = in_th_step;
- in_theta_end = in_th_end;
- in_phi_start = in_ph_start;
- in_phi_step = in_ph_step;
- in_phi_end = in_ph_end;
- sc_theta_start = sc_th_start;
- sc_theta_step = sc_th_step;
- sc_theta_end = sc_th_end;
- sc_phi_start = sc_ph_start;
- sc_phi_step = sc_ph_step;
- sc_phi_end = sc_ph_end;
- jwtm = _jwtm;
- sph_x = x;
- sph_y = y;
- sph_z = z;
+ _number_of_spheres = nsph;
+ _l_max = lm;
+ _in_pol = in_pol;
+ _npnt = npnt;
+ _npntts = npntts;
+ _isam = isam;
+ _li = li;
+ _le = le;
+ _mxndm = mxndm;
+ _iavm = iavm;
+ _in_theta_start = in_th_start;
+ _in_theta_step = in_th_step;
+ _in_theta_end = in_th_end;
+ _in_phi_start = in_ph_start;
+ _in_phi_step = in_ph_step;
+ _in_phi_end = in_ph_end;
+ _sc_theta_start = sc_th_start;
+ _sc_theta_step = sc_th_step;
+ _sc_theta_end = sc_th_end;
+ _sc_phi_start = sc_ph_start;
+ _sc_phi_step = sc_ph_step;
+ _sc_phi_end = sc_ph_end;
+ _jwtm = jwtm;
+ _sph_x = x;
+ _sph_y = y;
+ _sph_z = z;
}
-GeometryConfiguration::GeometryConfiguration(const GeometryConfiguration& rhs)
+
+GeometryConfiguration::GeometryConfiguration(const GeometryConfiguration& rhs)
{
- number_of_spheres = rhs.number_of_spheres;
- l_max = rhs.l_max;
- in_pol = rhs.in_pol;
- npnt = rhs.npnt;
- npntts = rhs.npntts;
- meridional_type = rhs.meridional_type;
- li = rhs.li;
- le = rhs.le;
- mxndm = rhs.mxndm;
- iavm = rhs.iavm;
- in_theta_start = rhs.in_theta_start;
- in_theta_step = rhs.in_theta_step;
- in_theta_end = rhs.in_theta_end;
- in_phi_start = rhs.in_phi_start;
- in_phi_step = rhs.in_phi_step ;
- in_phi_end = rhs.in_phi_end;
- sc_theta_start = rhs.sc_theta_start;
- sc_theta_step = rhs.sc_theta_step;
- sc_theta_end = rhs.sc_theta_end;
- sc_phi_start = rhs.sc_phi_start;
- sc_phi_step = rhs.sc_phi_step;
- sc_phi_end = rhs.sc_phi_end;
- jwtm = rhs.jwtm;
- sph_x = new double[number_of_spheres]();
- sph_y = new double[number_of_spheres]();
- sph_z = new double[number_of_spheres]();
- for (int ni=0; ni<number_of_spheres; ni++) {
- sph_x[ni] = rhs.sph_x[ni];
- sph_y[ni] = rhs.sph_y[ni];
- sph_z[ni] = rhs.sph_z[ni];
+ _number_of_spheres = rhs._number_of_spheres;
+ _l_max = rhs._l_max;
+ _in_pol = rhs._in_pol;
+ _npnt = rhs._npnt;
+ _npntts = rhs._npntts;
+ _isam = rhs._isam;
+ _li = rhs._li;
+ _le = rhs._le;
+ _mxndm = rhs._mxndm;
+ _iavm = rhs._iavm;
+ _in_theta_start = rhs._in_theta_start;
+ _in_theta_step = rhs._in_theta_step;
+ _in_theta_end = rhs._in_theta_end;
+ _in_phi_start = rhs._in_phi_start;
+ _in_phi_step = rhs._in_phi_step;
+ _in_phi_end = rhs._in_phi_end;
+ _sc_theta_start = rhs._sc_theta_start;
+ _sc_theta_step = rhs._sc_theta_step;
+ _sc_theta_end = rhs._sc_theta_end;
+ _sc_phi_start = rhs._sc_phi_start;
+ _sc_phi_step = rhs._sc_phi_step;
+ _sc_phi_end = rhs._sc_phi_end;
+ _jwtm = rhs._jwtm;
+ _sph_x = new double[_number_of_spheres]();
+ _sph_y = new double[_number_of_spheres]();
+ _sph_z = new double[_number_of_spheres]();
+ for (int ni=0; ni < _number_of_spheres; ni++) {
+ _sph_x[ni] = rhs._sph_x[ni];
+ _sph_y[ni] = rhs._sph_y[ni];
+ _sph_z[ni] = rhs._sph_z[ni];
}
}
GeometryConfiguration::~GeometryConfiguration() {
- delete[] sph_x;
- delete[] sph_y;
- delete[] sph_z;
+ delete[] _sph_x;
+ delete[] _sph_y;
+ delete[] _sph_z;
}
-GeometryConfiguration* GeometryConfiguration::from_legacy(string file_name) {
+GeometryConfiguration* GeometryConfiguration::from_legacy(const std::string& file_name) {
int num_lines = 0;
int last_read_line = 0;
string *file_lines;
@@ -130,7 +131,8 @@ GeometryConfiguration* GeometryConfiguration::from_legacy(string file_name) {
throw ex;
}
int _nsph = 0, _lm = 0, _in_pol = 0, _npnt = 0, _npntts = 0, _isam = 0;
- int _li = 0, _le = 0, _mxndm = 0, _iavm = 0;
+ int _li = 0, _le = 0, _iavm = 0;
+ np_int _mxndm = 0;
regex re = regex("-?[0-9]+");
str_target = file_lines[last_read_line++];
regex_search(str_target, m, re);
@@ -213,11 +215,11 @@ GeometryConfiguration* GeometryConfiguration::from_legacy(string file_name) {
str_target = m.suffix().str();
}
- int _jwtm;
+ int fjwtm;
re = regex("[0-9]+");
str_target = file_lines[last_read_line++];
regex_search(str_target, m, re);
- _jwtm = stoi(m.str());
+ fjwtm = stoi(m.str());
GeometryConfiguration *conf = new GeometryConfiguration(
_nsph, _lm, _in_pol, _npnt, _npntts, _isam,
_li, _le, _mxndm, _iavm,
@@ -226,7 +228,7 @@ GeometryConfiguration* GeometryConfiguration::from_legacy(string file_name) {
sc_th_start, sc_th_step, sc_th_end,
in_ph_start, in_ph_step, in_ph_end,
sc_ph_start, sc_ph_step, sc_ph_end,
- _jwtm
+ fjwtm
);
delete[] file_lines;
return conf;
@@ -237,7 +239,7 @@ ScattererConfiguration::ScattererConfiguration(
int configs,
double *scale_vector,
int nxi,
- string variable_name,
+ const std::string& variable_name,
int *iog_vector,
double *ros_vector,
int *nshl_vector,
@@ -249,23 +251,24 @@ ScattererConfiguration::ScattererConfiguration(
double w,
double x
) {
- number_of_spheres = nsph;
- configurations = configs;
- number_of_scales = nxi;
- reference_variable_name = variable_name;
- iog_vec = iog_vector;
- radii_of_spheres = ros_vector;
- nshl_vec = nshl_vector;
- rcf = rcf_vector;
- idfc = dielectric_func_type;
- dc0_matrix = dc_matrix;
- use_external_sphere = is_external;
- exdc = ex;
- wp = w;
- xip = x;
- if (variable_name == "XIV") scale_vec = scale_vector;
- else {
- scale_vec = new double[number_of_scales]();
+ _number_of_spheres = nsph;
+ _configurations = configs;
+ _number_of_scales = nxi;
+ _reference_variable_name = variable_name;
+ _iog_vec = iog_vector;
+ _radii_of_spheres = ros_vector;
+ _nshl_vec = nshl_vector;
+ _rcf = rcf_vector;
+ _idfc = dielectric_func_type;
+ _dc0_matrix = dc_matrix;
+ _use_external_sphere = is_external;
+ _exdc = ex;
+ _wp = w;
+ _xip = x;
+ _scale_vec = new double[_number_of_scales]();
+ if (variable_name == "XIV") {
+ for (int xi = 0; xi < nxi; xi++) _scale_vec[xi] = scale_vector[xi];
+ } else {
const double pi2 = 2.0 * acos(-1.0);
const double evc = 6.5821188e-16;
for (int si = 0; si < number_of_scales; si++) {
@@ -274,69 +277,65 @@ ScattererConfiguration::ScattererConfiguration(
else if (variable_name.compare("WLS") == 0) value = pi2 / value * 3.0e8 / wp;
else if (variable_name.compare("PUS") == 0) value /= wp;
else if (variable_name.compare("EVS") == 0) value /= (evc * wp);
- scale_vec[si] = value;
+ _scale_vec[si] = value;
}
}
}
-ScattererConfiguration::ScattererConfiguration(const ScattererConfiguration& rhs)
+
+ScattererConfiguration::ScattererConfiguration(const ScattererConfiguration& rhs)
{
- number_of_spheres = rhs.number_of_spheres;
- configurations = rhs.configurations;
- number_of_scales = rhs.number_of_scales;
- reference_variable_name = rhs.reference_variable_name;
- idfc = rhs.idfc;
- use_external_sphere = rhs.use_external_sphere;
- exdc = rhs.exdc;
- wp = rhs.wp;
- xip = rhs.xip;
- iog_vec = new int[number_of_spheres]();
- radii_of_spheres = new double[number_of_spheres]();
- nshl_vec = new int[number_of_spheres]();
- rcf = new double*[number_of_spheres];
- scale_vec = new double[number_of_scales]();
- dc0_matrix = new dcomplex**[configurations];
- for (int si = 0; si < number_of_scales; si++) scale_vec[si] = rhs.scale_vec[si];
- for (int si=0; si<number_of_spheres; si++) {
- iog_vec[si] = rhs.iog_vec[si];
+ _number_of_spheres = rhs._number_of_spheres;
+ _configurations = rhs._configurations;
+ _number_of_scales = rhs._number_of_scales;
+ _reference_variable_name = rhs._reference_variable_name;
+ _idfc = rhs._idfc;
+ _use_external_sphere = rhs._use_external_sphere;
+ _exdc = rhs._exdc;
+ _wp = rhs._wp;
+ _xip = rhs._xip;
+ _iog_vec = new int[_number_of_spheres]();
+ _radii_of_spheres = new double[_number_of_spheres]();
+ _nshl_vec = new int[_configurations]();
+ _rcf = new double*[_configurations];
+ _scale_vec = new double[_number_of_scales]();
+ _dc0_matrix = new dcomplex**[_configurations];
+ for (int si = 0; si < _number_of_scales; si++) _scale_vec[si] = rhs._scale_vec[si];
+ for (int si = 0; si < _number_of_spheres; si++) {
+ _iog_vec[si] = rhs._iog_vec[si];
}
- int dim3 = (idfc == 0) ? number_of_scales : 1;
- for (int si=0; si<configurations; si++) {
- radii_of_spheres[si] = rhs.radii_of_spheres[si];
- nshl_vec[si] = rhs.nshl_vec[si];
- rcf[si] = new double[nshl_vec[si]]();
- dc0_matrix[si] = new dcomplex*[number_of_spheres];
- for (int sj=0; sj<nshl_vec[si]; sj++) rcf[si][sj] = rhs.rcf[si][sj];
- for (int sj=0; sj<number_of_spheres; sj++) {
- dc0_matrix[si][sj] = new dcomplex[dim3]();
- for (int sk=0; sk<dim3; sk++) dc0_matrix[si][sj][sk] = rhs.dc0_matrix[si][sj][sk];
+ int dim3 = (_idfc == 0) ? _number_of_scales : 1;
+ for (int si = 0; si < _configurations; si++) {
+ _radii_of_spheres[si] = rhs._radii_of_spheres[si];
+ _nshl_vec[si] = rhs._nshl_vec[si];
+ _rcf[si] = new double[_nshl_vec[si]]();
+ _dc0_matrix[si] = new dcomplex*[_number_of_spheres];
+ for (int sj = 0; sj < _nshl_vec[si]; sj++) _rcf[si][sj] = rhs._rcf[si][sj];
+ for (int sj = 0; sj < _number_of_spheres; sj++) {
+ _dc0_matrix[si][sj] = new dcomplex[dim3]();
+ for (int sk = 0; sk < dim3; sk++) _dc0_matrix[si][sj][sk] = rhs._dc0_matrix[si][sj][sk];
}
}
}
ScattererConfiguration::~ScattererConfiguration() {
- int configurations = 0;
- for (int i = 1; i <= number_of_spheres; i++) {
- if (iog_vec[i - 1] < i) continue;
- configurations++;
- }
- for (int i = 0; i < configurations; i++) {
- for (int j = 0; j < number_of_spheres; j++) {
- delete[] dc0_matrix[i][j];
+ for (int i = 0; i < _configurations; i++) {
+ for (int j = 0; j < _number_of_spheres; j++) {
+ delete[] _dc0_matrix[i][j];
}
- delete[] dc0_matrix[i];
+ delete[] _dc0_matrix[i];
}
- delete[] dc0_matrix;
- for (int i = 0; i < configurations; i++) {
- delete[] rcf[i];
+ delete[] _dc0_matrix;
+ for (int i = 0; i < _configurations; i++) {
+ delete[] _rcf[i];
}
- delete[] rcf;
- delete[] nshl_vec;
- delete[] radii_of_spheres;
- delete[] iog_vec;
- delete[] scale_vec;
+ delete[] _rcf;
+ delete[] _nshl_vec;
+ delete[] _radii_of_spheres;
+ delete[] _iog_vec;
+ delete[] _scale_vec;
}
-ScattererConfiguration* ScattererConfiguration::from_binary(string file_name, string mode) {
+ScattererConfiguration* ScattererConfiguration::from_binary(const std::string& file_name, const std::string& mode) {
ScattererConfiguration *conf = NULL;
if (mode.compare("LEGACY") == 0) {
conf = ScattererConfiguration::from_legacy(file_name);
@@ -349,7 +348,7 @@ ScattererConfiguration* ScattererConfiguration::from_binary(string file_name, st
return conf;
}
-ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_name) {
+ScattererConfiguration* ScattererConfiguration::from_dedfb(const std::string& dedfb_file_name) {
int num_lines = 0;
int last_read_line = 0;
string *file_lines;
@@ -361,17 +360,17 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
OpenConfigurationFileException ex(dedfb_file_name);
throw ex;
}
- int nsph, ies;
+ int fnsph, fies;
re = regex("[0-9]+");
string str_target = file_lines[last_read_line];
for (int ri = 0; ri < 2; ri++) {
regex_search(str_target, m, re);
- if (ri == 0) nsph = stoi(m.str());
- if (ri == 1) ies = stoi(m.str());
+ if (ri == 0) fnsph = stoi(m.str());
+ if (ri == 1) fies = stoi(m.str());
str_target = m.suffix().str();
}
- if (ies != 0) ies = 1;
- double _exdc, _wp, _xip;
+ if (fies != 0) fies = 1;
+ double fexdc, fwp, fxip;
str_target = file_lines[++last_read_line];
re = regex("-?[0-9]+\\.[0-9]+([eEdD][-+]?[0-9]+)?");
for (int ri = 0; ri < 3; ri++) {
@@ -379,28 +378,28 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
string str_number = m.str();
str_number = regex_replace(str_number, regex("D"), "e");
str_number = regex_replace(str_number, regex("d"), "e");
- if (ri == 0) _exdc = stod(str_number);
- if (ri == 1) _wp = stod(str_number);
- if (ri == 2) _xip = stod(str_number);
+ if (ri == 0) fexdc = stod(str_number);
+ if (ri == 1) fwp = stod(str_number);
+ if (ri == 2) fxip = stod(str_number);
str_target = m.suffix().str();
}
- int _idfc, nxi, instpc, insn;
+ int fidfc, fnxi, finstpc, finsn;
re = regex("-?[0-9]+");
for (int ri = 0; ri < 4; ri++) {
regex_search(str_target, m, re);
- if (ri == 0) _idfc = stoi(m.str());
- if (ri == 1) nxi = stoi(m.str());
- if (ri == 2) instpc = stoi(m.str());
- if (ri == 3) insn = stoi(m.str());
+ if (ri == 0) fidfc = stoi(m.str());
+ if (ri == 1) fnxi = stoi(m.str());
+ if (ri == 2) finstpc = stoi(m.str());
+ if (ri == 3) finsn = stoi(m.str());
str_target = m.suffix().str();
}
double *variable_vector;
string variable_name;
- if (_idfc < 0) { // Diel. functions at XIP value and XI is scale factor
+ if (fidfc < 0) { // Diel. functions at XIP value and XI is scale factor
variable_name = "XIV";
- if (instpc < 1) { // The variable vector is explicitly defined.
+ if (finstpc < 1) { // The variable vector is explicitly defined.
double xi;
List<double> *xi_vector = new List<double>(1);
str_target = file_lines[++last_read_line];
@@ -411,7 +410,7 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
str_number = regex_replace(str_number, regex("d"), "e");
xi = stod(str_number);
xi_vector->set(0, xi);
- for (int jxi310 = 1; jxi310 < nxi; jxi310++) {
+ for (int jxi310 = 1; jxi310 < fnxi; jxi310++) {
str_target = file_lines[++last_read_line];
regex_search(str_target, m, re);
str_number = m.str();
@@ -436,17 +435,17 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
if (ri == 1) xi_step = stod(str_number);
str_target = m.suffix().str();
}
- variable_vector = new double[nxi]();
- for (int jxi320 = 0; jxi320 < nxi; jxi320++) {
+ variable_vector = new double[fnxi]();
+ for (int jxi320 = 0; jxi320 < fnxi; jxi320++) {
variable_vector[jxi320] = xi;
xi += xi_step;
}
}
} else { // idfc >= 0
- variable_vector = new double[nxi]();
- if (instpc == 0) { // The variable vector is explicitly defined
+ variable_vector = new double[fnxi]();
+ if (finstpc == 0) { // The variable vector is explicitly defined
double vs;
- for (int jxi_r = 0; jxi_r < nxi; jxi_r++) {
+ for (int jxi_r = 0; jxi_r < fnxi; jxi_r++) {
str_target = file_lines[++last_read_line];
re = regex("-?[0-9]+\\.[0-9]+([eEdD][-+]?[0-9]+)?");
regex_search(str_target, m, re);
@@ -456,7 +455,7 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
vs = stod(str_number);
variable_vector[jxi_r] = vs;
}
- switch (insn) {
+ switch (finsn) {
case 1: //xi vector definition
variable_name = "XIV";
break;
@@ -487,11 +486,11 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
if (ri == 1) vs_step = stod(str_number);
str_target = m.suffix().str();
}
- for (int jxi110w = 0; jxi110w < nxi; jxi110w++) {
+ for (int jxi110w = 0; jxi110w < fnxi; jxi110w++) {
variable_vector[jxi110w] = vs;
vs += vs_step;
}
- switch (insn) {
+ switch (finsn) {
case 1: //xi vector definition
variable_name = "XIV";
break;
@@ -510,11 +509,11 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
}
}
}
- int *iog_vector = new int[nsph]();
+ int *iog_vector = new int[fnsph]();
str_target = file_lines[++last_read_line];
re = regex("[0-9]+");
int configurations = 0;
- for (int i = 1; i <= nsph; i++) {
+ for (int i = 1; i <= fnsph; i++) {
bool success = regex_search(str_target, m, re);
if (success) {
iog_vector[i - 1] = stoi(m.str());
@@ -526,10 +525,10 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
}
}
int index = 0;
- double *ros_vector = new double[nsph]();
- int *nshl_vector = new int[nsph]();
- double **rcf_vector = new double*[nsph];
- for (int i113 = 1; i113 <= nsph; i113++) {
+ double *ros_vector = new double[fnsph]();
+ int *nshl_vector = new int[fnsph]();
+ double **rcf_vector = new double*[fnsph];
+ for (int i113 = 1; i113 <= fnsph; i113++) {
if (iog_vector[i113 - 1] < i113) continue;
str_target = file_lines[++last_read_line];
re = regex("[0-9]+");
@@ -543,7 +542,7 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
str_number = regex_replace(str_number, regex("d"), "e");
ros_vector[i113 - 1] = stod(str_number);
int nsh = nshl_vector[i113 - 1];
- if (i113 == 1) nsh += ies;
+ if (i113 == 1) nsh += fies;
rcf_vector[i113 - 1] = new double[nsh]();
for (int ns112 = 0; ns112 < nsh; ns112++) {
str_target = file_lines[++last_read_line];
@@ -557,18 +556,18 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
dcomplex ***dc0m = new dcomplex**[configurations];
dcomplex *dc0 = new dcomplex[configurations]();
- int dim3 = (_idfc == 0) ? nxi : 1;
+ int dim3 = (fidfc == 0) ? fnxi : 1;
for (int di = 0; di < configurations; di++) {
- dc0m[di] = new dcomplex*[nsph];
- for (int dj = 0; dj < nsph; dj++) dc0m[di][dj] = new dcomplex[dim3]();
+ dc0m[di] = new dcomplex*[fnsph];
+ for (int dj = 0; dj < fnsph; dj++) dc0m[di][dj] = new dcomplex[dim3]();
} // di loop
- for (int jxi468 = 1; jxi468 <= nxi; jxi468++) {
- if (_idfc != 0 && jxi468 > 1) continue; // jxi468 loop
- for (int i162 = 1; i162 <= nsph; i162++) {
+ for (int jxi468 = 1; jxi468 <= fnxi; jxi468++) {
+ if (fidfc != 0 && jxi468 > 1) continue; // jxi468 loop
+ for (int i162 = 1; i162 <= fnsph; i162++) {
if (iog_vector[i162 - 1] >= i162) {
int nsh = nshl_vector[i162 - 1];
int ici = (nsh + 1) / 2;
- if (i162 == 1) ici += ies;
+ if (i162 == 1) ici += fies;
for (int ic157 = 0; ic157 < ici; ic157++) {
str_target = file_lines[++last_read_line];
regex_search(str_target, m, re);
@@ -591,27 +590,28 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
delete[] dc0;
ScattererConfiguration *config = new ScattererConfiguration(
- nsph,
+ fnsph,
configurations,
variable_vector,
- nxi,
+ fnxi,
variable_name,
iog_vector,
ros_vector,
nshl_vector,
rcf_vector,
- _idfc,
+ fidfc,
dc0m,
- (ies > 0),
- _exdc,
- _wp,
- _xip
+ (fies > 0),
+ fexdc,
+ fwp,
+ fxip
);
delete[] file_lines;
+ delete[] variable_vector;
return config;
}
-ScattererConfiguration* ScattererConfiguration::from_hdf5(string file_name) {
+ScattererConfiguration* ScattererConfiguration::from_hdf5(const std::string& file_name) {
ScattererConfiguration *conf = NULL;
unsigned int flags = H5F_ACC_RDONLY;
HDFFile *hdf_file = new HDFFile(file_name, flags);
@@ -708,7 +708,7 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(string file_name) {
return conf;
}
-ScattererConfiguration* ScattererConfiguration::from_legacy(string file_name) {
+ScattererConfiguration* ScattererConfiguration::from_legacy(const std::string& file_name) {
int _nsph;
int *_iog_vec;
int _ies;
@@ -795,64 +795,63 @@ ScattererConfiguration* ScattererConfiguration::from_legacy(string file_name) {
return conf;
}
-double ScattererConfiguration::get_param(string param_name) {
+/*
+double ScattererConfiguration::get_param(const std::string& param_name) {
double value;
- if (param_name.compare("number_of_spheres") == 0) value = 1.0 * number_of_spheres;
- else if (param_name.compare("nsph") == 0) value = 1.0 * number_of_spheres;
- else if (param_name.compare("number_of_scales") == 0) value = 1.0 * number_of_scales;
- else if (param_name.compare("nxi") == 0) value = 1.0 * number_of_scales;
- else if (param_name.compare("idfc") == 0) value = 1.0 * idfc;
+ if (param_name.compare("number_of_spheres") == 0) value = (double)number_of_spheres;
+ else if (param_name.compare("nsph") == 0) value = (double)number_of_spheres;
+ else if (param_name.compare("configurations") == 0) value = (double)configurations;
+ else if (param_name.compare("number_of_scales") == 0) value = (double)number_of_scales;
+ else if (param_name.compare("nxi") == 0) value = (double)number_of_scales;
+ else if (param_name.compare("idfc") == 0) value = (double)idfc;
else if (param_name.compare("exdc") == 0) value = exdc;
else if (param_name.compare("wp") == 0) value = wp;
else if (param_name.compare("xip") == 0) value = xip;
else {
- // TODO: add exception code for unknown parameter.
- return 0.0;
+ string message = "unrecognized parameter \"" + param_name + "\"";
+ throw UnrecognizedParameterException(message);
}
return value;
}
+*/
void ScattererConfiguration::print() {
- int ies = (use_external_sphere)? 1 : 0;
- int configurations = 0;
- for (int ci = 1; ci <= number_of_spheres; ci++) {
- if (iog_vec[ci - 1] >= ci) configurations++;
- }
+ int ies = (_use_external_sphere)? 1 : 0;
printf("### CONFIGURATION DATA ###\n");
- printf("NSPH = %d\n", number_of_spheres);
+ printf("NSPH = %d\n", _number_of_spheres);
printf("ROS = [");
- for (int i = 0; i < configurations; i++) printf("\t%lg", radii_of_spheres[i]);
+ for (int i = 0; i < _configurations; i++) printf("\t%lg", _radii_of_spheres[i]);
printf("\t]\n");
printf("IOG = [");
- for (int i = 0; i < number_of_spheres; i++) printf("\t%d", iog_vec[i]);
+ for (int i = 0; i < _number_of_spheres; i++) printf("\t%d", _iog_vec[i]);
printf("\t]\n");
printf("NSHL = [");
- for (int i = 0; i < configurations; i++) printf("\t%d", nshl_vec[i]);
+ for (int i = 0; i < _configurations; i++) printf("\t%d", _nshl_vec[i]);
printf("\t]\n");
printf("RCF = [\n");
- for (int i = 1; i <= configurations; i++) {
- int nsh = nshl_vec[i - 1];
+ for (int i = 1; i <= _configurations; i++) {
+ int nsh = _nshl_vec[i - 1];
if (i == 1) nsh += ies;
printf(" [");
for (int ns = 0; ns < nsh; ns++) {
- printf("\t%lg", rcf[i - 1][ns]);
+ printf("\t%lg", _rcf[i - 1][ns]);
}
printf("\t]\n");
}
printf(" ]\n");
- printf("SCALE = %s\n", reference_variable_name.c_str());
- printf("NXI = %d\n", number_of_scales);
+ printf("SCALE = %s\n", _reference_variable_name.c_str());
+ printf("NXI = %d\n", _number_of_scales);
printf("VEC = [");
- for (int i = 0; i < number_of_scales; i++) printf("\t%lg", scale_vec[i]);
+ for (int i = 0; i < _number_of_scales; i++) printf("\t%lg", _scale_vec[i]);
printf("\t]\n");
printf("DC0M = [\n");
- for (int i = 0; i < configurations; i++) {
+ for (int i = 0; i < _configurations; i++) {
printf(" [\n");
- for (int j = 0; j < number_of_spheres; j++) {
+ for (int j = 0; j < _number_of_spheres; j++) {
printf(" [");
- for (int k = 0; k < number_of_scales; k++) {
+ for (int k = 0; k < _number_of_scales; k++) {
if (idfc != 0 and k > 0) continue;
- printf("\t%lg + i(%lg)", real(dc0_matrix[i][j][k]), imag(dc0_matrix[i][j][k]));
+ printf("\t%lg + i(%lg)", real(_dc0_matrix[i][j][k]), imag(_dc0_matrix[i][j][k]));
}
printf("\t]\n");
}
@@ -861,7 +860,7 @@ void ScattererConfiguration::print() {
printf(" ]\n");
}
-void ScattererConfiguration::write_binary(string file_name, string mode) {
+void ScattererConfiguration::write_binary(const std::string& file_name, const std::string& mode) {
if (mode.compare("LEGACY") == 0) {
write_legacy(file_name);
} else if (mode.compare("HDF5") == 0) {
@@ -872,79 +871,75 @@ void ScattererConfiguration::write_binary(string file_name, string mode) {
}
}
-void ScattererConfiguration::write_hdf5(string file_name) {
+void ScattererConfiguration::write_hdf5(const std::string& file_name) {
int ies = (use_external_sphere)? 1 : 0;
List<string> *rec_name_list = new List<string>(1);
List<string> *rec_type_list = new List<string>(1);
List<void *> *rec_ptr_list = new List<void *>(1);
string str_type, str_name;
- int configurations = 0;
- for (int ci = 1; ci <= number_of_spheres; ci++) {
- if(iog_vec[ci - 1] >= ci) configurations++;
- }
rec_name_list->set(0, "NSPH");
rec_type_list->set(0, "INT32_(1)");
- rec_ptr_list->set(0, &number_of_spheres);
+ rec_ptr_list->set(0, &_number_of_spheres);
rec_name_list->append("IES");
rec_type_list->append("INT32_(1)");
rec_ptr_list->append(&ies);
rec_name_list->append("IOGVEC");
- str_type = "INT32_(" + to_string(number_of_spheres) + ")";
+ str_type = "INT32_(" + to_string(_number_of_spheres) + ")";
rec_type_list->append(str_type);
- rec_ptr_list->append(iog_vec);
+ rec_ptr_list->append(_iog_vec);
rec_name_list->append("EXDC");
rec_type_list->append("FLOAT64_(1)");
- rec_ptr_list->append(&exdc);
+ rec_ptr_list->append(&_exdc);
rec_name_list->append("WP");
rec_type_list->append("FLOAT64_(1)");
- rec_ptr_list->append(&wp);
+ rec_ptr_list->append(&_wp);
rec_name_list->append("XIP");
rec_type_list->append("FLOAT64_(1)");
- rec_ptr_list->append(&xip);
+ rec_ptr_list->append(&_xip);
rec_name_list->append("IDFC");
rec_type_list->append("INT32_(1)");
- rec_ptr_list->append(&idfc);
+ rec_ptr_list->append(&_idfc);
rec_name_list->append("NXI");
rec_type_list->append("INT32_(1)");
- rec_ptr_list->append(&number_of_scales);
+ rec_ptr_list->append(&_number_of_scales);
rec_name_list->append("XIVEC");
str_type = "FLOAT64_(" + to_string(number_of_scales) + ")";
rec_type_list->append(str_type);
- rec_ptr_list->append(scale_vec);
- for (int i115 = 1; i115 <= number_of_spheres; i115++) {
- if (iog_vec[i115 - 1] < i115) continue;
+ rec_ptr_list->append(_scale_vec);
+ for (int i115 = 1; i115 <= _number_of_spheres; i115++) {
+ if (_iog_vec[i115 - 1] < i115) continue;
str_name = "NSHL_" + to_string(i115);
rec_name_list->append(str_name);
rec_type_list->append("INT32_(1)");
- rec_ptr_list->append(&(nshl_vec[i115 - 1])); // was not from IOG
+ rec_ptr_list->append(&(_nshl_vec[i115 - 1])); // was not from IOG
str_name = "ROS_" + to_string(i115);
rec_name_list->append(str_name);
rec_type_list->append("FLOAT64_(1)");
- rec_ptr_list->append(&(radii_of_spheres[i115 - 1])); // was not from IOG
- int nsh = nshl_vec[i115 - 1]; // was not from IOG
+ rec_ptr_list->append(&(_radii_of_spheres[i115 - 1])); // was not from IOG
+ int nsh = _nshl_vec[i115 - 1]; // was not from IOG
if (i115 == 1) nsh += ies;
str_name = "RCF_" + to_string(i115); // was not from IOG
str_type = "FLOAT64_(" + to_string(nsh) + ")";
rec_name_list->append(str_name);
rec_type_list->append(str_type);
- rec_ptr_list->append(&(rcf[i115 - 1][0])); // was not from IOG
+ rec_ptr_list->append(&(_rcf[i115 - 1][0])); // was not from IOG
}
- int dim3 = (idfc == 0) ? number_of_scales : 1;
- int dc0m_size = 2 * dim3 * number_of_spheres * configurations;
+ int dim3 = (idfc == 0) ? _number_of_scales : 1;
+ int dc0m_size = 2 * dim3 * _number_of_spheres * _configurations;
double *dc0m = new double[dc0m_size]();
int dc0_index = 0;
- for (int jxi468 = 1; jxi468 <= number_of_scales; jxi468++) {
- if (idfc != 0 && jxi468 > 1) continue;
- for (int i162 = 1; i162 <= number_of_spheres; i162++) {
- if (iog_vec[i162 - 1] < i162) continue;
- int nsh = nshl_vec[i162 - 1]; // was not from IOG
+ for (int jxi468 = 1; jxi468 <= _number_of_scales; jxi468++) {
+ if (_idfc != 0 && jxi468 > 1) continue;
+ for (int i162 = 1; i162 <= _number_of_spheres; i162++) {
+ if (_iog_vec[i162 - 1] < i162) continue;
+ int nsh = _nshl_vec[i162 - 1]; // was not from IOG
int ici = (nsh + 1) / 2;
if (i162 == 1) ici = ici + ies;
for (int i157 = 0; i157 < ici; i157++) {
double dc0_real, dc0_imag;
- dc0_real = real(dc0_matrix[i157][i162 - 1][jxi468 - 1]);
- dc0_imag = imag(dc0_matrix[i157][i162 - 1][jxi468 - 1]);
+ dc0_real = real(_dc0_matrix[i157][i162 - 1][jxi468 - 1]);
+ dc0_imag = imag(_dc0_matrix[i157][i162 - 1][jxi468 - 1]);
dc0m[2 * dc0_index] = dc0_real;
dc0m[2 * dc0_index + 1] = dc0_imag;
dc0_index++;
@@ -978,41 +973,41 @@ void ScattererConfiguration::write_hdf5(string file_name) {
delete hdf_file;
}
-void ScattererConfiguration::write_legacy(string file_name) {
+void ScattererConfiguration::write_legacy(const std::string& file_name) {
fstream output;
- int ies = (use_external_sphere)? 1 : 0;
+ int ies = (_use_external_sphere)? 1 : 0;
output.open(file_name.c_str(), ios::out | ios::binary);
- output.write(reinterpret_cast<char *>(&number_of_spheres), sizeof(int));
+ output.write(reinterpret_cast<char *>(&_number_of_spheres), sizeof(int));
output.write(reinterpret_cast<char *>(&ies), sizeof(int));
- for (int i = 0; i < number_of_spheres; i++)
- output.write(reinterpret_cast<char *>(&(iog_vec[i])), sizeof(int));
- output.write(reinterpret_cast<char *>(&exdc), sizeof(double));
- output.write(reinterpret_cast<char *>(&wp), sizeof(double));
- output.write(reinterpret_cast<char *>(&xip), sizeof(double));
- output.write(reinterpret_cast<char *>(&idfc), sizeof(int));
- output.write(reinterpret_cast<char *>(&number_of_scales), sizeof(int));
- for (int i = 0; i < number_of_scales; i++)
- output.write(reinterpret_cast<char *>(&(scale_vec[i])), sizeof(double));
- for (int i115 = 1; i115 <= number_of_spheres; i115++) {
- if (iog_vec[i115 - 1] < i115) continue;
- output.write(reinterpret_cast<char *>(&(nshl_vec[i115 - 1])), sizeof(int)); // was not from IOG
- output.write(reinterpret_cast<char *>(&(radii_of_spheres[i115 - 1])), sizeof(double)); // was not from IOG
- int nsh = nshl_vec[i115 - 1]; // was not from IOG
+ for (int i = 0; i < _number_of_spheres; i++)
+ output.write(reinterpret_cast<char *>(&(_iog_vec[i])), sizeof(int));
+ output.write(reinterpret_cast<char *>(&_exdc), sizeof(double));
+ output.write(reinterpret_cast<char *>(&_wp), sizeof(double));
+ output.write(reinterpret_cast<char *>(&_xip), sizeof(double));
+ output.write(reinterpret_cast<char *>(&_idfc), sizeof(int));
+ output.write(reinterpret_cast<char *>(&_number_of_scales), sizeof(int));
+ for (int i = 0; i < _number_of_scales; i++)
+ output.write(reinterpret_cast<char *>(&(_scale_vec[i])), sizeof(double));
+ for (int i115 = 1; i115 <= _number_of_spheres; i115++) {
+ if (_iog_vec[i115 - 1] < i115) continue;
+ output.write(reinterpret_cast<char *>(&(_nshl_vec[i115 - 1])), sizeof(int)); // was not from IOG
+ output.write(reinterpret_cast<char *>(&(_radii_of_spheres[i115 - 1])), sizeof(double)); // was not from IOG
+ int nsh = _nshl_vec[i115 - 1]; // was not from IOG
if (i115 == 1) nsh += ies;
for (int nsi = 0; nsi < nsh; nsi++)
- output.write(reinterpret_cast<char *>(&(rcf[i115 - 1][nsi])), sizeof(double)); // was not from IOG
+ output.write(reinterpret_cast<char *>(&(_rcf[i115 - 1][nsi])), sizeof(double)); // was not from IOG
}
- for (int jxi468 = 1; jxi468 <= number_of_scales; jxi468++) {
+ for (int jxi468 = 1; jxi468 <= _number_of_scales; jxi468++) {
if (idfc != 0 && jxi468 > 1) continue;
- for (int i162 = 1; i162 <= number_of_spheres; i162++) {
- if (iog_vec[i162 - 1] < i162) continue;
- int nsh = nshl_vec[i162 - 1]; // was not from IOG
+ for (int i162 = 1; i162 <= _number_of_spheres; i162++) {
+ if (_iog_vec[i162 - 1] < i162) continue;
+ int nsh = _nshl_vec[i162 - 1]; // was not from IOG
int ici = (nsh + 1) / 2; // QUESTION: is integer division really intended here?
if (i162 == 1) ici = ici + ies;
for (int i157 = 0; i157 < ici; i157++) {
double dc0_real, dc0_img;
- dc0_real = real(dc0_matrix[i157][i162 - 1][jxi468 - 1]);
- dc0_img = imag(dc0_matrix[i157][i162 - 1][jxi468 - 1]);
+ dc0_real = real(_dc0_matrix[i157][i162 - 1][jxi468 - 1]);
+ dc0_img = imag(_dc0_matrix[i157][i162 - 1][jxi468 - 1]);
// The FORTRAN code writes the complex numbers as a 16-byte long binary stream.
// Here we assume that the 16 bytes are equally split in 8 bytes to represent the
// real part and 8 bytes to represent the imaginary one.
@@ -1024,7 +1019,7 @@ void ScattererConfiguration::write_legacy(string file_name) {
output.close();
}
-void ScattererConfiguration::write_formatted(string file_name) {
+void ScattererConfiguration::write_formatted(const std::string& file_name) {
const double evc = 6.5821188e-16;
const double two_pi = acos(0.0) * 4.0;
double *xi_vec;
@@ -1032,23 +1027,23 @@ void ScattererConfiguration::write_formatted(string file_name) {
int ies = (use_external_sphere)? 1: 0;
FILE *output = fopen(file_name.c_str(), "w");
int scale_type = -1;
- if (reference_variable_name.compare("XIV") == 0) scale_type = 0;
- else if (reference_variable_name.compare("WNS") == 0) scale_type = 1;
- else if (reference_variable_name.compare("WLS") == 0) scale_type = 2;
- else if (reference_variable_name.compare("PUS") == 0) scale_type = 3;
- else if (reference_variable_name.compare("EVS") == 0) scale_type = 4;
- if (idfc >= 0) { // Dielectric functions are constant or they depend on XI
+ if (_reference_variable_name.compare("XIV") == 0) scale_type = 0;
+ else if (_reference_variable_name.compare("WNS") == 0) scale_type = 1;
+ else if (_reference_variable_name.compare("WLS") == 0) scale_type = 2;
+ else if (_reference_variable_name.compare("PUS") == 0) scale_type = 3;
+ else if (_reference_variable_name.compare("EVS") == 0) scale_type = 4;
+ if (_idfc >= 0) { // Dielectric functions are constant or they depend on XI
double *pu_vec, *ev_vec, *wn_vec, *wl_vec;
- xi_vec = new double[number_of_scales];
- pu_vec = new double[number_of_scales];
- ev_vec = new double[number_of_scales];
- wn_vec = new double[number_of_scales];
- wl_vec = new double[number_of_scales];
+ xi_vec = new double[_number_of_scales];
+ pu_vec = new double[_number_of_scales];
+ ev_vec = new double[_number_of_scales];
+ wn_vec = new double[_number_of_scales];
+ wl_vec = new double[_number_of_scales];
switch (scale_type) {
case 0:
fprintf(output, " JXI XIV WNS WLS PUS EVS\n");
- for (int i = 0; i < number_of_scales; i++) {
- xi_vec[i] = scale_vec[i];
+ for (int i = 0; i < _number_of_scales; i++) {
+ xi_vec[i] = _scale_vec[i];
pu_vec[i] = xi_vec[i] * wp;
ev_vec[i] = pu_vec[i] * evc;
wn_vec[i] = pu_vec[i] / 3.0e8;
@@ -1067,8 +1062,8 @@ void ScattererConfiguration::write_formatted(string file_name) {
break;
case 1:
fprintf(output, " JXI WNS WLS PUS EVS XIV\n");
- for (int i = 0; i < number_of_scales; i++) {
- xi_vec[i] = scale_vec[i];
+ for (int i = 0; i < _number_of_scales; i++) {
+ xi_vec[i] = _scale_vec[i];
pu_vec[i] = xi_vec[i] * wp;
wn_vec[i] = pu_vec[i] / 3.0e8;
wl_vec[i] = two_pi / wn_vec[i];
@@ -1087,8 +1082,8 @@ void ScattererConfiguration::write_formatted(string file_name) {
break;
case 2:
fprintf(output, " JXI WLS WNS PUS EVS XIV\n");
- for (int i = 0; i < number_of_scales; i++) {
- xi_vec[i] = scale_vec[i];
+ for (int i = 0; i < _number_of_scales; i++) {
+ xi_vec[i] = _scale_vec[i];
pu_vec[i] = xi_vec[i] * wp;
wn_vec[i] = pu_vec[i] / 3.0e8;
wl_vec[i] = two_pi / wn_vec[i];
@@ -1107,8 +1102,8 @@ void ScattererConfiguration::write_formatted(string file_name) {
break;
case 3:
fprintf(output, " JXI PUS WNS WLS EVS XIV\n");
- for (int i = 0; i < number_of_scales; i++) {
- xi_vec[i] = scale_vec[i];
+ for (int i = 0; i < _number_of_scales; i++) {
+ xi_vec[i] = _scale_vec[i];
pu_vec[i] = xi_vec[i] * wp;
wn_vec[i] = pu_vec[i] / 3.0e8;
wl_vec[i] = two_pi / wn_vec[i];
@@ -1127,8 +1122,8 @@ void ScattererConfiguration::write_formatted(string file_name) {
break;
case 4:
fprintf(output, " JXI EVS WNS WLS PUS XIV\n");
- for (int i = 0; i < number_of_scales; i++) {
- xi_vec[i] = scale_vec[i];
+ for (int i = 0; i < _number_of_scales; i++) {
+ xi_vec[i] = _scale_vec[i];
pu_vec[i] = xi_vec[i] * wp;
wn_vec[i] = pu_vec[i] / 3.0e8;
wl_vec[i] = two_pi / wn_vec[i];
@@ -1160,7 +1155,7 @@ void ScattererConfiguration::write_formatted(string file_name) {
delete[] wl_vec;
} else { // idfc < 0, Dielectric functions are at XIP and XI is scale for dimensions
double pu, wn;
- xi_vec = scale_vec;
+ xi_vec = _scale_vec;
pu = xip * wp;
wn = pu / 3.0e8;
fprintf(output, " XIP WN WL PU EV\n");
@@ -1170,34 +1165,34 @@ void ScattererConfiguration::write_formatted(string file_name) {
fprintf(output, "%13.4lE", pu);
fprintf(output, "%13.4lE\n", pu * evc);
fprintf(output, " SCALE FACTORS XI\n");
- for (int i = 0; i < number_of_scales; i++)
+ for (int i = 0; i < _number_of_scales; i++)
fprintf(output, "%5d%13.4lE\n", (i + 1), xi_vec[i]);
}
- if (idfc != 0) {
+ if (_idfc != 0) {
fprintf(output, " DIELECTRIC CONSTANTS\n");
- for (int i473 = 1; i473 <= number_of_spheres; i473++) {
- if (iog_vec[i473 - 1] != i473) continue;
- ici = (nshl_vec[i473 - 1] + 1) / 2;
+ for (int i473 = 1; i473 <= _number_of_spheres; i473++) {
+ if (_iog_vec[i473 - 1] != i473) continue;
+ ici = (_nshl_vec[i473 - 1] + 1) / 2;
if (i473 == 1) ici += ies;
fprintf(output, " SPHERE N.%4d\n", i473);
for (int ic472 = 0; ic472 < ici; ic472++) {
- double dc0_real = real(dc0_matrix[ic472][i473 - 1][0]);
- double dc0_img = imag(dc0_matrix[ic472][i473 - 1][0]);
+ double dc0_real = real(_dc0_matrix[ic472][i473 - 1][0]);
+ double dc0_img = imag(_dc0_matrix[ic472][i473 - 1][0]);
fprintf(output, "%5d %12.4lE%12.4lE\n", (ic472 + 1), dc0_real, dc0_img);
}
}
} else {
fprintf(output, " DIELECTRIC FUNCTIONS\n");
- for (int i478 = 1; i478 <= number_of_spheres; i478++) {
- if (iog_vec[i478 - 1] != i478) continue;
- ici = (nshl_vec[i478 - 1] + 1) / 2;
+ for (int i478 = 1; i478 <= _number_of_spheres; i478++) {
+ if (_iog_vec[i478 - 1] != i478) continue;
+ ici = (_nshl_vec[i478 - 1] + 1) / 2;
if (i478 == 1) ici += ies;
fprintf(output, " SPHERE N.%4d\n", i478);
for (int ic477 = 1; ic477 <= ici; ic477++) {
- fprintf(output, " NONTRANSITION LAYER N.%2d, SCALE = %3s\n", ic477, reference_variable_name.c_str());
- for (int jxi476 = 0; jxi476 < number_of_scales; jxi476++) {
- double dc0_real = real(dc0_matrix[ic477 - 1][i478 - 1][jxi476]);
- double dc0_img = imag(dc0_matrix[ic477 - 1][i478 - 1][jxi476]);
+ fprintf(output, " NONTRANSITION LAYER N.%2d, SCALE = %3s\n", ic477, _reference_variable_name.c_str());
+ for (int jxi476 = 0; jxi476 < _number_of_scales; jxi476++) {
+ double dc0_real = real(_dc0_matrix[ic477 - 1][i478 - 1][jxi476]);
+ double dc0_img = imag(_dc0_matrix[ic477 - 1][i478 - 1][jxi476]);
fprintf(output, "%5d %12.4lE%12.4lE\n", (jxi476 + 1), dc0_real, dc0_img);
}
}
@@ -1206,54 +1201,54 @@ void ScattererConfiguration::write_formatted(string file_name) {
fclose(output);
}
-bool ScattererConfiguration::operator ==(ScattererConfiguration &other) {
- if (number_of_spheres != other.number_of_spheres) {
+bool ScattererConfiguration::operator ==(const ScattererConfiguration &other) {
+ if (_number_of_spheres != other._number_of_spheres) {
return false;
}
- if (number_of_scales != other.number_of_scales) {
+ if (_number_of_scales != other._number_of_scales) {
return false;
}
- if (idfc != other.idfc) {
+ if (_idfc != other._idfc) {
return false;
}
- if (exdc != other.exdc) {
+ if (_exdc != other._exdc) {
return false;
}
- if (wp != other.wp) {
+ if (_wp != other._wp) {
return false;
}
- if (xip != other.xip) {
+ if (_xip != other._xip) {
return false;
}
//if (use_external_sphere != other.use_external_sphere) return false;
- for (int svi = 0; svi < number_of_scales; svi++)
- if (scale_vec[svi] != other.scale_vec[svi]) {
+ for (int svi = 0; svi < _number_of_scales; svi++)
+ if (_scale_vec[svi] != other._scale_vec[svi]) {
return false;
}
- int configurations = 0;
- int dim3 = (idfc == 0) ? number_of_scales : 1;
- for (int ci = 1; ci <= number_of_spheres; ci++) {
- if (iog_vec[ci - 1] != other.iog_vec[ci - 1]) {
+ if (_configurations != other._configurations) {
+ return false;
+ }
+ int dim3 = (idfc == 0) ? _number_of_scales : 1;
+ for (int ci = 1; ci <= _number_of_spheres; ci++) {
+ if (_iog_vec[ci - 1] != other._iog_vec[ci - 1]) {
return false;
}
- if (iog_vec[ci - 1] < ci) continue;
- configurations++;
}
- for (int ri = 0; ri < configurations; ri++) {
- if (radii_of_spheres[ri] != other.radii_of_spheres[ri]) {
+ for (int ri = 0; ri < _configurations; ri++) {
+ if (_radii_of_spheres[ri] != other._radii_of_spheres[ri]) {
return false;
}
- if (nshl_vec[ri] != other.nshl_vec[ri]) {
+ if (_nshl_vec[ri] != other._nshl_vec[ri]) {
return false;
}
- for (int rj = 0; rj < nshl_vec[ri]; rj++) {
- if (rcf[ri][rj] != other.rcf[ri][rj]) {
+ for (int rj = 0; rj < _nshl_vec[ri]; rj++) {
+ if (_rcf[ri][rj] != other._rcf[ri][rj]) {
return false;
}
} // rj loop
- for (int dj = 0; dj < number_of_spheres; dj++) {
+ for (int dj = 0; dj < _number_of_spheres; dj++) {
for (int dk = 0; dk < dim3; dk++) {
- if (dc0_matrix[ri][dj][dk] != other.dc0_matrix[ri][dj][dk]) {
+ if (_dc0_matrix[ri][dj][dk] != other._dc0_matrix[ri][dj][dk]) {
return false;
}
} // dk loop
diff --git a/src/libnptm/Parsers.cpp b/src/libnptm/Parsers.cpp
index 6c8326f7c4274258deb7f42bb16d47b050239bc9..8e6023e9cf76ef58639019da025fa0f7a7264b3f 100644
--- a/src/libnptm/Parsers.cpp
+++ b/src/libnptm/Parsers.cpp
@@ -19,7 +19,7 @@
#include "../include/Parsers.h"
#endif
-std::string *load_file(std::string file_name, int *count = 0) {
+std::string *load_file(const std::string& file_name, int *count = 0) {
std::fstream input_file(file_name.c_str(), std::ios::in);
List<std::string> *file_lines = new List<std::string>();
std::string line;
diff --git a/src/libnptm/TransitionMatrix.cpp b/src/libnptm/TransitionMatrix.cpp
index fc6c92af6c77dca0aabce667de72f1e51ef15fec..cb383e9f5ee58ce3d237e1f2dc869f7a3358f4f9 100644
--- a/src/libnptm/TransitionMatrix.cpp
+++ b/src/libnptm/TransitionMatrix.cpp
@@ -94,7 +94,7 @@ TransitionMatrix::TransitionMatrix(
}
}
-TransitionMatrix* TransitionMatrix::from_binary(string file_name, string mode) {
+TransitionMatrix* TransitionMatrix::from_binary(const std::string& file_name, const std::string& mode) {
TransitionMatrix *tm = NULL;
if (mode.compare("LEGACY") == 0) {
tm = TransitionMatrix::from_legacy(file_name);
@@ -107,7 +107,7 @@ TransitionMatrix* TransitionMatrix::from_binary(string file_name, string mode) {
return tm;
}
-TransitionMatrix* TransitionMatrix::from_hdf5(string file_name) {
+TransitionMatrix* TransitionMatrix::from_hdf5(const std::string& file_name) {
TransitionMatrix *tm = NULL;
unsigned int flags = H5F_ACC_RDONLY;
HDFFile *hdf_file = new HDFFile(file_name, flags);
@@ -160,7 +160,7 @@ TransitionMatrix* TransitionMatrix::from_hdf5(string file_name) {
return tm;
}
-TransitionMatrix* TransitionMatrix::from_legacy(string file_name) {
+TransitionMatrix* TransitionMatrix::from_legacy(const std::string& file_name) {
fstream ttms;
TransitionMatrix *tm = NULL;
ttms.open(file_name, ios::binary | ios::in);
@@ -207,7 +207,7 @@ TransitionMatrix* TransitionMatrix::from_legacy(string file_name) {
return tm;
}
-void TransitionMatrix::write_binary(string file_name, string mode) {
+void TransitionMatrix::write_binary(const std::string& file_name, const std::string& mode) {
if (mode.compare("LEGACY") == 0) {
write_legacy(file_name);
} else if (mode.compare("HDF5") == 0) {
@@ -218,7 +218,36 @@ void TransitionMatrix::write_binary(string file_name, string mode) {
}
}
-void TransitionMatrix::write_hdf5(string file_name) {
+void TransitionMatrix::write_binary(
+ const std::string& file_name, np_int _nlemt, int _lm, double _vk,
+ double _exri, dcomplex **_am0m, const std::string& mode
+) {
+ if (mode.compare("LEGACY") == 0) {
+ write_legacy(file_name, _nlemt, _lm, _vk, _exri, _am0m);
+ } else if (mode.compare("HDF5") == 0) {
+ write_hdf5(file_name, _nlemt, _lm, _vk, _exri, _am0m);
+ } else {
+ string message = "Unknown format mode: \"" + mode + "\"";
+ throw UnrecognizedFormatException(message);
+ }
+}
+
+void TransitionMatrix::write_binary(
+ const std::string& file_name, int _lm, double _vk, double _exri,
+ dcomplex **_rmi, dcomplex **_rei, double _sphere_radius,
+ const std::string& mode
+) {
+ if (mode.compare("LEGACY") == 0) {
+ write_legacy(file_name, _lm, _vk, _exri, _rmi, _rei, _sphere_radius);
+ } else if (mode.compare("HDF5") == 0) {
+ write_hdf5(file_name, _lm, _vk, _exri, _rmi, _rei, _sphere_radius);
+ } else {
+ string message = "Unknown format mode: \"" + mode + "\"";
+ throw UnrecognizedFormatException(message);
+ }
+}
+
+void TransitionMatrix::write_hdf5(const std::string& file_name) {
if (is == 1 || is == 1111) {
List<string> rec_name_list(1);
List<string> rec_type_list(1);
@@ -237,17 +266,10 @@ void TransitionMatrix::write_hdf5(string file_name) {
rec_type_list.append("FLOAT64_(1)");
rec_ptr_list.append(&exri);
rec_name_list.append("ELEMENTS");
- str_type = "FLOAT64_(" + to_string(shape[0]) + "," + to_string(2 * shape[1]) + ")";
+ str_type = "COMPLEX128_(" + to_string(shape[0]) + "," + to_string(shape[1]) + ")";
rec_type_list.append(str_type);
- // The (N x M) matrix of complex is converted to a (N x 2M) matrix of double,
- // where REAL(E_i,j) -> E_i,(2 j) and IMAG(E_i,j) -> E_i,(2 j + 1)
- int num_elements = 2 * shape[0] * shape[1];
- double *ptr_elements = new double[num_elements]();
- for (int ei = 0; ei < num_elements / 2; ei++) {
- ptr_elements[2 * ei] = real(elements[ei]);
- ptr_elements[2 * ei + 1] = imag(elements[ei]);
- }
- rec_ptr_list.append(ptr_elements);
+ dcomplex *p_first = elements;
+ rec_ptr_list.append(p_first);
if (is == 1111) {
rec_name_list.append("RADIUS");
rec_type_list.append("FLOAT64_(1)");
@@ -264,7 +286,7 @@ void TransitionMatrix::write_hdf5(string file_name) {
hdf_file->write(rec_names[ri], rec_types[ri], rec_pointers[ri]);
hdf_file->close();
- delete[] ptr_elements;
+ p_first = NULL;
delete[] rec_names;
delete[] rec_types;
delete[] rec_pointers;
@@ -275,7 +297,104 @@ void TransitionMatrix::write_hdf5(string file_name) {
}
}
-void TransitionMatrix::write_legacy(string file_name) {
+void TransitionMatrix::write_hdf5(
+ const std::string& file_name, np_int _nlemt, int _lm, double _vk,
+ double _exri, dcomplex **_am0m
+) {
+ int is = 1;
+ List<string> rec_name_list(1);
+ List<string> rec_type_list(1);
+ List<void *> rec_ptr_list(1);
+ string str_type, str_name;
+ rec_name_list.set(0, "IS");
+ rec_type_list.set(0, "INT32_(1)");
+ rec_ptr_list.set(0, &is);
+ rec_name_list.append("L_MAX");
+ rec_type_list.append("INT32_(1)");
+ rec_ptr_list.append(&_lm);
+ rec_name_list.append("VK");
+ rec_type_list.append("FLOAT64_(1)");
+ rec_ptr_list.append(&_vk);
+ rec_name_list.append("EXRI");
+ rec_type_list.append("FLOAT64_(1)");
+ rec_ptr_list.append(&_exri);
+ rec_name_list.append("ELEMENTS");
+ str_type = "COMPLEX128_(" + to_string(_nlemt) + "," + to_string(_nlemt) + ")";
+ rec_type_list.append(str_type);
+ // The (N x M) matrix of complex is converted to a (N x 2M) matrix of double,
+ // where REAL(E_i,j) -> E_i,(2 j) and IMAG(E_i,j) -> E_i,(2 j + 1)
+ dcomplex *p_first = _am0m[0];
+ rec_ptr_list.append(p_first);
+
+ string *rec_names = rec_name_list.to_array();
+ string *rec_types = rec_type_list.to_array();
+ void **rec_pointers = rec_ptr_list.to_array();
+ const int rec_num = rec_name_list.length();
+ FileSchema schema(rec_num, rec_types, rec_names);
+ HDFFile *hdf_file = HDFFile::from_schema(schema, file_name, H5F_ACC_TRUNC);
+ for (int ri = 0; ri < rec_num; ri++)
+ hdf_file->write(rec_names[ri], rec_types[ri], rec_pointers[ri]);
+ hdf_file->close();
+
+ p_first = NULL;
+ delete[] rec_names;
+ delete[] rec_types;
+ delete[] rec_pointers;
+ delete hdf_file;
+}
+
+void TransitionMatrix::write_hdf5(
+ const std::string& file_name, int _lm, double _vk, double _exri,
+ dcomplex **_rmi, dcomplex **_rei, double _sphere_radius
+) {
+ int is = 1111;
+ List<string> rec_name_list(1);
+ List<string> rec_type_list(1);
+ List<void *> rec_ptr_list(1);
+ string str_type, str_name;
+ rec_name_list.set(0, "IS");
+ rec_type_list.set(0, "INT32_(1)");
+ rec_ptr_list.set(0, &is);
+ rec_name_list.append("L_MAX");
+ rec_type_list.append("INT32_(1)");
+ rec_ptr_list.append(&_lm);
+ rec_name_list.append("VK");
+ rec_type_list.append("FLOAT64_(1)");
+ rec_ptr_list.append(&_vk);
+ rec_name_list.append("EXRI");
+ rec_type_list.append("FLOAT64_(1)");
+ rec_ptr_list.append(&_exri);
+ dcomplex *_elements = new dcomplex[2 * _lm]();
+ for (int ei = 0; ei < _lm; ei++) {
+ _elements[2 * ei] = -1.0 / _rmi[ei][0];
+ _elements[2 * ei + 1] = -1.0 / _rei[ei][0];
+ }
+ rec_name_list.append("ELEMENTS");
+ str_type = "COMPLEX128_(" + to_string(_lm) + "," + to_string(2) + ")";
+ rec_type_list.append(str_type);
+ rec_ptr_list.append(_elements);
+ rec_name_list.append("RADIUS");
+ rec_type_list.append("FLOAT64_(1)");
+ rec_ptr_list.append(&_sphere_radius);
+
+ string *rec_names = rec_name_list.to_array();
+ string *rec_types = rec_type_list.to_array();
+ void **rec_pointers = rec_ptr_list.to_array();
+ const int rec_num = rec_name_list.length();
+ FileSchema schema(rec_num, rec_types, rec_names);
+ HDFFile *hdf_file = HDFFile::from_schema(schema, file_name, H5F_ACC_TRUNC);
+ for (int ri = 0; ri < rec_num; ri++)
+ hdf_file->write(rec_names[ri], rec_types[ri], rec_pointers[ri]);
+ hdf_file->close();
+
+ delete[] _elements;
+ delete[] rec_names;
+ delete[] rec_types;
+ delete[] rec_pointers;
+ delete hdf_file;
+}
+
+void TransitionMatrix::write_legacy(const std::string& file_name) {
fstream ttms;
if (is == 1111 || is == 1) {
ttms.open(file_name, ios::binary | ios::out);
@@ -308,6 +427,66 @@ void TransitionMatrix::write_legacy(string file_name) {
}
}
+void TransitionMatrix::write_legacy(
+ const std::string& file_name, np_int _nlemt, int _lm, double _vk,
+ double _exri, dcomplex **_am0m
+) {
+ fstream ttms;
+ int is = 1;
+ ttms.open(file_name, ios::binary | ios::out);
+ if (ttms.is_open()) {
+ ttms.write(reinterpret_cast<char *>(&is), sizeof(int));
+ ttms.write(reinterpret_cast<char *>(&_lm), sizeof(int));
+ ttms.write(reinterpret_cast<char *>(&_vk), sizeof(double));
+ ttms.write(reinterpret_cast<char *>(&_exri), sizeof(double));
+ double rval, ival;
+ for (np_int ei = 0; ei < _nlemt; ei++) {
+ for (np_int ej = 0; ej < _nlemt; ej++) {
+ rval = real(_am0m[ei][ej]);
+ ival = imag(_am0m[ei][ej]);
+ ttms.write(reinterpret_cast<char *>(&rval), sizeof(double));
+ ttms.write(reinterpret_cast<char *>(&ival), sizeof(double));
+ }
+ }
+ ttms.close();
+ } else { // Failed to open output file. Should never happen.
+ printf("ERROR: could not open Transition Matrix file for writing.\n");
+ }
+}
+
+void TransitionMatrix::write_legacy(
+ const std::string& file_name, int _lm, double _vk, double _exri,
+ dcomplex **_rmi, dcomplex **_rei, double _sphere_radius
+) {
+ fstream ttms;
+ int is = 1111;
+ ttms.open(file_name, ios::binary | ios::out);
+ if (ttms.is_open()) {
+ ttms.write(reinterpret_cast<char *>(&is), sizeof(int));
+ ttms.write(reinterpret_cast<char *>(&_lm), sizeof(int));
+ ttms.write(reinterpret_cast<char *>(&_vk), sizeof(double));
+ ttms.write(reinterpret_cast<char *>(&_exri), sizeof(double));
+ double rval, ival;
+ dcomplex element;
+ for (int ei = 0; ei < _lm; ei++) {
+ element = -1.0 / _rmi[ei][0];
+ rval = real(element);
+ ival = imag(element);
+ ttms.write(reinterpret_cast<char *>(&rval), sizeof(double));
+ ttms.write(reinterpret_cast<char *>(&ival), sizeof(double));
+ element = -1.0 / _rei[ei][0];
+ rval = real(element);
+ ival = imag(element);
+ ttms.write(reinterpret_cast<char *>(&rval), sizeof(double));
+ ttms.write(reinterpret_cast<char *>(&ival), sizeof(double));
+ }
+ ttms.write(reinterpret_cast<char *>(&_sphere_radius), sizeof(double));
+ ttms.close();
+ } else { // Failed to open output file. Should never happen.
+ printf("ERROR: could not open Transition Matrix file for writing.\n");
+ }
+}
+
bool TransitionMatrix::operator ==(TransitionMatrix &other) {
if (is != other.is) {
return false;
diff --git a/src/libnptm/clu_subs.cpp b/src/libnptm/clu_subs.cpp
index 2473d63602e9d589c412f8ffba01425ff0e6c6cb..937ac24d4c512133c1d6c224fd9f675a9698a9a0 100644
--- a/src/libnptm/clu_subs.cpp
+++ b/src/libnptm/clu_subs.cpp
@@ -9,6 +9,10 @@
#include "../include/types.h"
#endif
+#ifndef INCLUDE_CONFIGURATION_H_
+#include "../include/Configuration.h"
+#endif
+
#ifndef INCLUDE_COMMONS_H_
#include "../include/Commons.h"
#endif
@@ -1814,7 +1818,7 @@ void scr2(
} // ipo1 loop
}
-void str(double **rcf, C1 *c1, C1_AddOns *c1ao, C3 *c3, C4 *c4, C6 *c6) {
+void str(ScattererConfiguration *sconf, C1 *c1, C1_AddOns *c1ao, C3 *c3, C4 *c4, C6 *c6) {
dcomplex *ylm;
const double pi = acos(-1.0);
c3->gcs = 0.0;
@@ -1826,7 +1830,7 @@ void str(double **rcf, C1 *c1, C1_AddOns *c1ao, C3 *c3, C4 *c4, C6 *c6) {
c1->gcsv[i18 - 1] = gcss;
int nsh = c1->nshl[i18 - 1];
for (int j16 = 1; j16 <= nsh; j16++) {
- c1->rc[i18 - 1][j16 - 1] = rcf[i18 - 1][j16 - 1] * c1->ros[i18 - 1];
+ c1->rc[i18 - 1][j16 - 1] = sconf->get_rcf(i18 - 1, j16 - 1) * c1->ros[i18 - 1];
} // j16 loop
}
c3->gcs += gcss;
diff --git a/src/libnptm/file_io.cpp b/src/libnptm/file_io.cpp
index f960e26c6bd3317031d63aae225ff4729d19ef52..c196d515e3923a5045373e28ce144c5a1e5de4c1 100644
--- a/src/libnptm/file_io.cpp
+++ b/src/libnptm/file_io.cpp
@@ -21,7 +21,7 @@
using namespace std;
-FileSchema::FileSchema(int num_rec, string *rec_types, string *rec_names) {
+FileSchema::FileSchema(int num_rec, const std::string *rec_types, const std::string *rec_names) {
num_records = num_rec;
record_types = new string[num_rec];
record_names = new string[num_rec];
@@ -49,7 +49,7 @@ string* FileSchema::get_record_types() {
return rec_types;
}
-HDFFile::HDFFile(string name, unsigned int flags, hid_t fcpl_id, hid_t fapl_id) {
+HDFFile::HDFFile(const std::string& name, unsigned int flags, hid_t fcpl_id, hid_t fapl_id) {
file_name = name;
if (flags == H5F_ACC_EXCL || flags == H5F_ACC_TRUNC)
file_id = H5Fcreate(name.c_str(), flags, fcpl_id, fapl_id);
@@ -73,7 +73,7 @@ herr_t HDFFile::close() {
}
HDFFile* HDFFile::from_schema(
- FileSchema &schema, string name, unsigned int flags,
+ FileSchema &schema, const std::string& name, unsigned int flags,
hid_t fcpl_id, hid_t fapl_id
) {
HDFFile *hdf_file = new HDFFile(name, flags, fcpl_id, fapl_id);
@@ -81,7 +81,7 @@ HDFFile* HDFFile::from_schema(
herr_t status;
string *rec_types = schema.get_record_types();
string *rec_names = schema.get_record_names();
- string known_types[] = {"INT32", "FLOAT64"};
+ string known_types[] = {"INT32", "FLOAT64", "COMPLEX128"};
int rec_num = schema.get_record_number();
regex re;
smatch m;
@@ -99,8 +99,9 @@ HDFFile* HDFFile::from_schema(
str_target = m.suffix().str();
if (type_index == 1) data_type = H5Tcopy(H5T_NATIVE_INT);
else if (type_index == 2) data_type = H5Tcopy(H5T_NATIVE_DOUBLE);
+ else if (type_index == 3) data_type = H5Tcopy(H5T_NATIVE_DOUBLE);
}
- if (type_index == 2) break;
+ if (type_index == 3) break;
}
if (found_type) {
re = regex("[0-9]+");
@@ -119,6 +120,9 @@ HDFFile* HDFFile::from_schema(
max_dims[ti] = dim;
str_target = m.suffix().str();
}
+ int multiplier = (type_index == 3) ? 2 : 1;
+ dims[rank - 1] *= multiplier;
+ max_dims[rank - 1] *= multiplier;
hid_t dataspace_id = H5Screate_simple(rank, dims, max_dims);
hid_t dataset_id = H5Dcreate(
file_id, rec_names[ri].c_str(), data_type, dataspace_id, H5P_DEFAULT,
@@ -140,9 +144,9 @@ HDFFile* HDFFile::from_schema(
}
herr_t HDFFile::read(
- string dataset_name, string data_type, void *buffer,
- hid_t mem_space_id, hid_t file_space_id, hid_t dapl_id,
- hid_t dxpl_id
+ const std::string& dataset_name, const std::string& data_type, void *buffer,
+ hid_t mem_space_id, hid_t file_space_id, hid_t dapl_id,
+ hid_t dxpl_id
) {
string known_types[] = {"INT32", "FLOAT64"};
regex re;
@@ -179,11 +183,11 @@ herr_t HDFFile::read(
}
herr_t HDFFile::write(
- string dataset_name, string data_type, const void *buffer,
+ const std::string& dataset_name, const std::string& data_type, const void *buffer,
hid_t mem_space_id, hid_t file_space_id, hid_t dapl_id,
hid_t dxpl_id
) {
- string known_types[] = {"INT32", "FLOAT64"};
+ string known_types[] = {"INT32", "FLOAT64", "COMPLEX128"};
regex re;
smatch m;
bool found_type = false;
@@ -191,7 +195,7 @@ herr_t HDFFile::write(
while (!found_type) {
re = regex(known_types[type_index++]);
found_type = regex_search(data_type, m, re);
- if (type_index == 2) break;
+ if (type_index == 3) break;
}
if (found_type) {
hid_t dataset_id = H5Dopen2(file_id, dataset_name.c_str(), dapl_id);
@@ -201,6 +205,8 @@ herr_t HDFFile::write(
mem_type_id = H5T_NATIVE_INT; break;
case 2:
mem_type_id = H5T_NATIVE_DOUBLE; break;
+ case 3:
+ mem_type_id = H5T_NATIVE_DOUBLE; break;
default:
throw UnrecognizedParameterException("unrecognized data type \"" + data_type + "\"");
}
diff --git a/src/libnptm/logging.cpp b/src/libnptm/logging.cpp
index 67a586e467d4c0a5aa8f19a0197e4209dbe1355d..a0246ceb75236840cf6323c0b85c4dd12714bac9 100644
--- a/src/libnptm/logging.cpp
+++ b/src/libnptm/logging.cpp
@@ -25,45 +25,57 @@ Logger::~Logger() {
delete last_message;
}
-void Logger::err(std::string message) {
- fprintf(err_output, "%s", message.c_str());
- fflush(err_output);
+void Logger::err(const std::string& message) {
+#pragma omp critical
+ {
+ fprintf(err_output, "%s", message.c_str());
+ fflush(err_output);
+ }
}
void Logger::flush(int level) {
- string summary = "\"" + *last_message + "\" issued " + to_string(repetitions);
- if (repetitions == 1) summary += " time.\n";
- else summary += " times.\n";
- if (level == LOG_ERRO) err(summary);
- else {
- if (level >= log_threshold) {
- fprintf(log_output, "%s", summary.c_str());
- fflush(log_output);
+#pragma omp critical
+ {
+ string summary = "\"" + *last_message + "\" issued " + to_string(repetitions);
+ if (repetitions == 1) summary += " time.\n";
+ else summary += " times.\n";
+ if (level == LOG_ERRO) err(summary);
+ else {
+ if (level >= log_threshold) {
+ fprintf(log_output, "%s", summary.c_str());
+ fflush(log_output);
+ }
}
+ delete last_message;
+ last_message = new string("");
+ repetitions = 0;
}
- delete last_message;
- last_message = new string("");
- repetitions = 0;
}
-void Logger::log(std::string message, int level) {
- if (level == LOG_ERRO) err(message);
- else {
- if (level >= log_threshold) {
- fprintf(log_output, "%s", message.c_str());
- fflush(log_output);
+void Logger::log(const std::string& message, int level) {
+#pragma omp critical
+ {
+ if (level == LOG_ERRO) err(message);
+ else {
+ if (level >= log_threshold) {
+ fprintf(log_output, "%s", message.c_str());
+ fflush(log_output);
+ }
}
}
}
-void Logger::push(std::string message) {
- if (repetitions > 0) {
- if (message.compare(*last_message) != 0) {
- flush(LOG_DEBG);
+void Logger::push(const std::string& message) {
+#pragma omp critical
+ {
+ if (repetitions > 0) {
+ if (message.compare(*last_message) != 0) {
+ flush(LOG_DEBG);
+ }
}
+ log(message, LOG_DEBG);
+ delete last_message;
+ last_message = new string(message);
+ repetitions++;
}
- log(message, LOG_DEBG);
- delete last_message;
- last_message = new string(message);
- repetitions++;
}
diff --git a/src/libnptm/sph_subs.cpp b/src/libnptm/sph_subs.cpp
index f3a7d54d569085df555ad3443440ebb3cc1b840c..ec130527737499311537c3eea4264b9927220c98 100644
--- a/src/libnptm/sph_subs.cpp
+++ b/src/libnptm/sph_subs.cpp
@@ -8,6 +8,10 @@
#include "../include/types.h"
#endif
+#ifndef INCLUDE_CONFIGURATION_H_
+#include "../include/Configuration.h"
+#endif
+
#ifndef INCLUDE_COMMONS_H_
#include "../include/Commons.h"
#endif
diff --git a/src/libnptm/tfrfme.cpp b/src/libnptm/tfrfme.cpp
index a1a8e1aecf19841471964057b2d3442711638e82..081563e3ff10777d893dd6af051c26ae18c5d87a 100644
--- a/src/libnptm/tfrfme.cpp
+++ b/src/libnptm/tfrfme.cpp
@@ -41,7 +41,7 @@ Swap1::Swap1(int lm, int _nkv) {
last_index = 0;
}
-Swap1* Swap1::from_binary(string file_name, string mode) {
+Swap1* Swap1::from_binary(const std::string& file_name, const std::string& mode) {
Swap1 *instance = NULL;
if (mode.compare("LEGACY") == 0) {
instance = from_legacy(file_name);
@@ -54,7 +54,7 @@ Swap1* Swap1::from_binary(string file_name, string mode) {
return instance;
}
-Swap1* Swap1::from_hdf5(string file_name) {
+Swap1* Swap1::from_hdf5(const std::string& file_name) {
Swap1 *instance = NULL;
unsigned int flags = H5F_ACC_RDONLY;
HDFFile *hdf_file = new HDFFile(file_name, flags);
@@ -86,7 +86,7 @@ Swap1* Swap1::from_hdf5(string file_name) {
return instance;
}
-Swap1* Swap1::from_legacy(string file_name) {
+Swap1* Swap1::from_legacy(const std::string& file_name) {
fstream input;
Swap1 *instance = NULL;
dcomplex *_wk = NULL;
@@ -118,7 +118,7 @@ long Swap1::get_memory_requirement(int lm, int _nkv) {
return size;
}
-void Swap1::write_binary(string file_name, string mode) {
+void Swap1::write_binary(const std::string& file_name, const std::string& mode) {
if (mode.compare("LEGACY") == 0) {
write_legacy(file_name);
} else if (mode.compare("HDF5") == 0) {
@@ -129,7 +129,7 @@ void Swap1::write_binary(string file_name, string mode) {
}
}
-void Swap1::write_hdf5(string file_name) {
+void Swap1::write_hdf5(const std::string& file_name) {
List<string> rec_name_list(1);
List<string> rec_type_list(1);
List<void *> rec_ptr_list(1);
@@ -169,7 +169,7 @@ void Swap1::write_hdf5(string file_name) {
delete hdf_file;
}
-void Swap1::write_legacy(string file_name) {
+void Swap1::write_legacy(const std::string& file_name) {
fstream output;
double rval, ival;
output.open(file_name.c_str(), ios::out | ios::binary);
@@ -222,7 +222,7 @@ Swap2::~Swap2() {
delete[] vkzm;
}
-Swap2* Swap2::from_binary(string file_name, string mode) {
+Swap2* Swap2::from_binary(const std::string& file_name, const std::string& mode) {
Swap2 *instance = NULL;
if (mode.compare("LEGACY") == 0) {
instance = from_legacy(file_name);
@@ -235,7 +235,7 @@ Swap2* Swap2::from_binary(string file_name, string mode) {
return instance;
}
-Swap2* Swap2::from_hdf5(string file_name) {
+Swap2* Swap2::from_hdf5(const std::string& file_name) {
Swap2 *instance = NULL;
unsigned int flags = H5F_ACC_RDONLY;
HDFFile *hdf_file = new HDFFile(file_name, flags);
@@ -282,7 +282,7 @@ Swap2* Swap2::from_hdf5(string file_name) {
return instance;
}
-Swap2* Swap2::from_legacy(string file_name) {
+Swap2* Swap2::from_legacy(const std::string& file_name) {
fstream input;
Swap2 *instance = NULL;
int _nkv, _nlmmt, _nrvc;
@@ -344,7 +344,7 @@ long Swap2::get_memory_requirement(int _nkv) {
return size;
}
-double Swap2::get_param(string param_name) {
+double Swap2::get_param(const std::string& param_name) {
double value;
if (param_name.compare("nkv") == 0) value = 1.0 * nkv;
else if (param_name.compare("apfafa") == 0) value = apfafa;
@@ -374,7 +374,7 @@ void Swap2::push_matrix(double value) {
last_matrix++;
}
-void Swap2::set_param(string param_name, double value) {
+void Swap2::set_param(const std::string& param_name, double value) {
if (param_name.compare("nkv") == 0) nkv = (int)value;
else if (param_name.compare("apfafa") == 0) apfafa = value;
else if (param_name.compare("pmf") == 0) pmf = value;
@@ -395,7 +395,7 @@ void Swap2::set_param(string param_name, double value) {
}
}
-void Swap2::write_binary(string file_name, string mode) {
+void Swap2::write_binary(const std::string& file_name, const std::string& mode) {
if (mode.compare("LEGACY") == 0) {
write_legacy(file_name);
} else if (mode.compare("HDF5") == 0) {
@@ -406,7 +406,7 @@ void Swap2::write_binary(string file_name, string mode) {
}
}
-void Swap2::write_hdf5(string file_name) {
+void Swap2::write_hdf5(const std::string& file_name) {
List<string> rec_name_list(1);
List<string> rec_type_list(1);
List<void *> rec_ptr_list(1);
@@ -479,7 +479,7 @@ void Swap2::write_hdf5(string file_name) {
delete hdf_file;
}
-void Swap2::write_legacy(string file_name) {
+void Swap2::write_legacy(const std::string& file_name) {
fstream output;
double value;
output.open(file_name.c_str(), ios::out | ios::binary);
@@ -608,7 +608,7 @@ TFRFME::~TFRFME() {
delete[] wsum;
}
-TFRFME* TFRFME::from_binary(string file_name, string mode) {
+TFRFME* TFRFME::from_binary(const std::string& file_name, const std::string& mode) {
TFRFME *instance = NULL;
if (mode.compare("LEGACY") == 0) {
instance = from_legacy(file_name);
@@ -621,7 +621,7 @@ TFRFME* TFRFME::from_binary(string file_name, string mode) {
return instance;
}
-TFRFME* TFRFME::from_hdf5(string file_name) {
+TFRFME* TFRFME::from_hdf5(const std::string& file_name) {
TFRFME *instance = NULL;
unsigned int flags = H5F_ACC_RDONLY;
HDFFile *hdf_file = new HDFFile(file_name, flags);
@@ -685,7 +685,7 @@ TFRFME* TFRFME::from_hdf5(string file_name) {
return instance;
}
-TFRFME* TFRFME::from_legacy(string file_name) {
+TFRFME* TFRFME::from_legacy(const std::string& file_name) {
fstream input;
TFRFME *instance = NULL;
dcomplex **_wsum = NULL;
@@ -763,7 +763,7 @@ long TFRFME::get_memory_requirement(
return size;
}
-double TFRFME::get_param(string param_name) {
+double TFRFME::get_param(const std::string& param_name) {
double value;
if (param_name.compare("vk") == 0) value = vk;
else if (param_name.compare("exri") == 0) value = exri;
@@ -786,7 +786,7 @@ double TFRFME::get_param(string param_name) {
return value;
}
-void TFRFME::set_param(string param_name, double value) {
+void TFRFME::set_param(const std::string& param_name, double value) {
if (param_name.compare("vk") == 0) vk = value;
else if (param_name.compare("exri") == 0) exri = value;
else if (param_name.compare("an") == 0) an = value;
@@ -801,7 +801,7 @@ void TFRFME::set_param(string param_name, double value) {
}
}
-void TFRFME::write_binary(string file_name, string mode) {
+void TFRFME::write_binary(const std::string& file_name, const std::string& mode) {
if (mode.compare("LEGACY") == 0) {
write_legacy(file_name);
} else if (mode.compare("HDF5") == 0) {
@@ -812,7 +812,7 @@ void TFRFME::write_binary(string file_name, string mode) {
}
}
-void TFRFME::write_hdf5(string file_name) {
+void TFRFME::write_hdf5(const std::string& file_name) {
List<string> rec_name_list(1);
List<string> rec_type_list(1);
List<void *> rec_ptr_list(1);
@@ -905,7 +905,7 @@ void TFRFME::write_hdf5(string file_name) {
delete hdf_file;
}
-void TFRFME::write_legacy(string file_name) {
+void TFRFME::write_legacy(const std::string& file_name) {
fstream output;
output.open(file_name.c_str(), ios::out | ios::binary);
if (output.is_open()) {
@@ -943,7 +943,7 @@ void TFRFME::write_legacy(string file_name) {
}
}
-bool TFRFME::operator ==(TFRFME &other) {
+bool TFRFME::operator ==(const TFRFME& other) {
if (lmode != other.lmode) {
return false;
}
diff --git a/src/libnptm/tra_subs.cpp b/src/libnptm/tra_subs.cpp
index 2591b8c335a245a64cd41ae26ad50e6720810ace..74b8f1b642e51558775b2eb81ec7a94d0eec3ed3 100644
--- a/src/libnptm/tra_subs.cpp
+++ b/src/libnptm/tra_subs.cpp
@@ -11,6 +11,10 @@
#include "../include/types.h"
#endif
+#ifndef INCLUDE_CONFIGURATION_H_
+#include "../include/Configuration.h"
+#endif
+
#ifndef INCLUDE_COMMONS_H_
#include "../include/Commons.h"
#endif
diff --git a/src/make.inc b/src/make.inc
index e854d59e55315a2a57c46c8e3c4e58d5d8678e54..88c109cc067b6e27e5c33ad5b7688dfd9fc9e91c 100644
--- a/src/make.inc
+++ b/src/make.inc
@@ -97,9 +97,6 @@ endif
override CXXLDFLAGS=-L/usr/lib64 -L$(HDF5_LIB) -lhdf5 $(STATICFLAG)
ifdef USE_LAPACK
override CXXLDFLAGS+= $(LAPACK_LDFLAGS)
-ifdef USE_OPENMP
-override CXXLDFLAGS+= -lopenblas64
-endif
endif
override CXXLDFLAGS+= $(LDFLAGS)
endif
diff --git a/src/scripts/pycompare.py b/src/scripts/pycompare.py
index 0ebeff4eaf0f19458a2a8478d9ba7e67ccf40532..8e2fd8a93ac904a95dace2df1a3d4800db8892fc 100755
--- a/src/scripts/pycompare.py
+++ b/src/scripts/pycompare.py
@@ -220,35 +220,42 @@ def compare_lines(f_line, c_line, config, line_num=0, num_len=4, log_file=None):
+ c_groups[si] + "</code></span><code>" + c_line[c_ends[si]:c_starts[si + 1]]
)
if (len(severities) > 0):
- # Single errror test modification
+ # Single error test modification
if (severities[-1] == 1): noisy += 1
elif (severities[-1] == 2): warnings += 1
elif (severities[-1] == 3):
split_c_line = c_line.split('/')
- if (len(split_c_line) != 2): errors += 1
+ if (config['warning_threshold'] == 0.0): errors += 1
+ elif (len(split_c_line) != 2): errors += 1
if log_file is not None:
if (len(severities) > 0):
if (severities[-1] == 0):
log_line = (
- log_line + c_groups[-1] + c_line[c_ends[-1]:len(c_line) - 2]
+ log_line + c_groups[-1] + c_line[c_ends[-1]:len(c_line) - 1]
)
- elif (severities[-1] == 1):
+ if (severities[-1] == 1):
log_line = (
log_line + "</code><span style=\"font-weight: bold; color: rgb(0,185,0)\"><code>"
+ c_groups[-1] + "</code></span><code>" + c_line[c_ends[-1]:len(c_line) - 2]
)
- elif (severities[-1] == 2):
+ if (severities[-1] == 2):
log_line = (
log_line + "</code><span style=\"font-weight: bold; color: rgb(0,0,255)\"><code>"
+ c_groups[-1] + "</code></span><code>" + c_line[c_ends[-1]:len(c_line) - 2]
)
- elif (severities[-1] == 3):
+ if (severities[-1] == 3):
split_c_line = c_line.split('/')
if (len(split_c_line) == 2):
- log_line = (
- log_line + "</code><span style=\"font-weight: bold; color: rgb(0,185,0)\"><code>"
- + c_groups[-1] + "</code></span><code>" + c_line[c_ends[-1]:len(c_line) - 2]
- )
+ if (config['warning_threshold'] != 0.0):
+ log_line = (
+ log_line + "</code><span style=\"font-weight: bold; color: rgb(0,185,0)\"><code>"
+ + c_groups[-1] + "</code></span><code>" + c_line[c_ends[-1]:len(c_line) - 2]
+ )
+ else:
+ log_line = (
+ log_line + "</code><span style=\"font-weight: bold; color: rgb(255,0,0)\"><code>"
+ + c_groups[-1] + "</code></span><code>" + c_line[c_ends[-1]:len(c_line) - 2]
+ )
else:
log_line = (
log_line + "</code><span style=\"font-weight: bold; color: rgb(255,0,0)\"><code>"
@@ -291,50 +298,73 @@ def compare_lines(f_line, c_line, config, line_num=0, num_len=4, log_file=None):
# \returns result: `array(int)` An array of severity codes ordered as the
# input numeric values.
def mismatch_severities(str_f_values, str_c_values, config):
- result = [0 for ri in range(len(str_f_values))]
- for i in range(len(str_f_values)):
- if (str_f_values[i] != str_c_values[i]):
+ result = []
+ if len(str_f_values) == len(str_c_values):
+ result = [0 for ri in range(len(str_f_values))]
+ f_values = []
+ c_values = []
+ # Convert numeric strings to numbers
+ for i in range(len(str_f_values)):
# Add the exponent marker if it is missing
temp_str_value = str_f_values[i][1:]
split_temp = temp_str_value.split('-')
if len(split_temp) > 1:
if (split_temp[0][-1] != 'E'):
str_f_values[i] = str_f_values[i][0] + split_temp[0] + "E-" + split_temp[1]
+ f_values.append(float(str_f_values[i]))
temp_str_value = str_c_values[i][1:]
split_temp = temp_str_value.split('-')
if len(split_temp) > 1:
if (split_temp[0][-1] != 'E'):
str_c_values[i] = str_c_values[i][0] + split_temp[0] + "E-" + split_temp[1]
+ c_values.append(float(str_c_values[i]))
# End of missing exponent marker correction
- f_values = [float(str_f_values[j]) for j in range(len(str_f_values))]
- c_values = [float(str_c_values[j]) for j in range(len(str_c_values))]
- if (len(f_values) != len(c_values)): return []
- f_log_values = [0.0 for j in range(len(f_values))]
- c_log_values = [0.0 for j in range(len(c_values))]
- max_f_log = -1.0e12
- max_c_log = -1.0e12
- min_f_log = 1.0e12
- min_c_log = 1.0e12
- for j in range(len(f_values)) :
- if f_values[j] < 0.0: f_values[j] *= -1.0
- if c_values[j] < 0.0: c_values[j] *= -1.0
- f_log_values[j] = log10(f_values[j]) if f_values[j] > 0.0 else -999
- c_log_values[j] = log10(c_values[j]) if c_values[j] > 0.0 else -999
- if (f_log_values[j] > max_f_log): max_f_log = f_log_values[j]
- if (c_log_values[j] > max_c_log): max_c_log = c_log_values[j]
- if (f_log_values[j] < min_f_log): min_f_log = f_log_values[j]
- if (c_log_values[j] < min_c_log): min_c_log = c_log_values[j]
- if (c_log_values[i] < max_c_log - 5.0 and f_log_values[i] < max_f_log - 5.0):
- result[i] = 1
- else:
- warning_scale = 10.0**(int(max_f_log - f_log_values[i]))
- difference = c_values[i] - f_values[i]
- fractional = 1.0
+ # End string to number conversion
+ # Evaluate the maximum scale
+ max_f_log = -1.0e12
+ max_c_log = -1.0e12
+ for si in range(len(f_values)):
+ if (f_values[si] != 0):
+ sign = 1.0 if f_values[si] > 0.0 else -1.0
+ log_f_value = log10(sign * f_values[si])
+ if (log_f_value > max_f_log): max_f_log = log_f_value
+ if (c_values[si] != 0):
+ sign = 1.0 if c_values[si] > 0.0 else -1.0
+ log_c_value = log10(sign * c_values[si])
+ if (log_c_value > max_c_log): max_c_log = log_c_value
+ if (max_f_log == -1.0e12): max_f_log = 0.0
+ if (max_c_log == -1.0e12): max_c_log = 0.0
+ # End of maximum scale evaluation
+ # Compare the numbers
+ for i in range(len(f_values)):
+ if (f_values[i] != c_values[i]):
if (f_values[i] != 0.0):
- fractional = difference / f_values[i]
- if (fractional < 0.0): fractional *= -1.0
- if (fractional < warning_scale * config['warning_threshold']): result[i] = 2
- else: result[i] = 3
+ sign = 1.0 if f_values[i] > 0.0 else -1.0
+ log_f_value = log10(sign * f_values[i])
+ if (log_f_value > max_f_log - 5.0):
+ scale = 10.0**(log_f_value - max_f_log)
+ fractional = scale * (f_values[i] - c_values[i]) / f_values[i]
+ if (fractional < 0.0): fractional *= -1.0
+ if (fractional <= config['warning_threshold']):
+ result[i] = 2
+ else:
+ result[i] = 3
+ else:
+ result[i] = 1
+ else: # f_values[i] == 0 and c_values[i] != 0
+ sign = 1.0 if c_values[i] > 0.0 else -1.0
+ log_c_value = log10(sign * c_values[i])
+ if (log_c_value > max_c_log - 5.0):
+ scale = 10.0**(log_c_value - max_c_log)
+ fractional = scale * (c_values[i] - f_values[i]) / c_values[i]
+ if (fractional < 0.0): fractional *= -1.0
+ if (fractional <= config['warning_threshold']):
+ result[i] = 2
+ else:
+ result[i] = 3
+ else:
+ result[i] = 1
+ # End number comparison
return result
## \brief Parse the command line arguments.
diff --git a/src/sphere/np_sphere.cpp b/src/sphere/np_sphere.cpp
index 7f381e41ee28b645b53376828ddf33c4c68b7a88..afb3fdbd2a0d4d2256e5ef9c9b33f6bedca1d9fa 100644
--- a/src/sphere/np_sphere.cpp
+++ b/src/sphere/np_sphere.cpp
@@ -30,7 +30,7 @@
using namespace std;
-extern void sphere(string config_file, string data_file, string output_path);
+extern void sphere(const string& config_file, const string& data_file, const string& output_path);
/*! \brief Main program entry point.
*
diff --git a/src/sphere/sphere.cpp b/src/sphere/sphere.cpp
index 94860567344395db2182f27b1019874f1460dc23..2c0dd6fdf65b2afde730afc88f3e5a5cfb500342 100644
--- a/src/sphere/sphere.cpp
+++ b/src/sphere/sphere.cpp
@@ -17,6 +17,10 @@
#include "../include/errors.h"
#endif
+#ifndef INCLUDE_LOGGING_H_
+#include "../include/logging.h"
+#endif
+
#ifndef INCLUDE_CONFIGURATION_H_
#include "../include/Configuration.h"
#endif
@@ -41,16 +45,19 @@ using namespace std;
* \param data_file: `string` Name of the input data file.
* \param output_path: `string` Directory to write the output files in.
*/
-void sphere(string config_file, string data_file, string output_path) {
+void sphere(const string& config_file, const string& data_file, const string& output_path) {
+ Logger *logger = new Logger(LOG_INFO);
dcomplex arg, s0, tfsas;
double th, ph;
- printf("INFO: making legacy configuration...\n");
+ logger->log("INFO: making legacy configuration...\n");
ScattererConfiguration *sconf = NULL;
try {
sconf = ScattererConfiguration::from_dedfb(config_file);
} catch(const OpenConfigurationFileException &ex) {
- printf("\nERROR: failed to open scatterer configuration file.\n");
- printf("FILE: %s\n", ex.what());
+ logger->err("\nERROR: failed to open scatterer configuration file.\n");
+ string message = ex.what();
+ logger->err("FILE: " + message + "\n");
+ delete logger;
exit(1);
}
sconf->write_formatted(output_path + "/c_OEDFB");
@@ -60,12 +67,16 @@ void sphere(string config_file, string data_file, string output_path) {
try {
gconf = GeometryConfiguration::from_legacy(data_file);
} catch(const OpenConfigurationFileException &ex) {
- printf("\nERROR: failed to open geometry configuration file.\n");
- printf("FILE: %s\n", ex.what());
+ logger->err("\nERROR: failed to open geometry configuration file.\n");
+ string message = ex.what();
+ logger->err("FILE: " + message + "\n");
if (sconf != NULL) delete sconf;
+ delete logger;
exit(1);
}
- if (sconf->number_of_spheres == gconf->number_of_spheres) {
+ int s_nsph = sconf->number_of_spheres;
+ int nsph = gconf->number_of_spheres;
+ if (s_nsph == nsph) {
int isq, ibf;
double *argi, *args, *gaps;
double cost, sint, cosp, sinp;
@@ -103,12 +114,26 @@ void sphere(string config_file, string data_file, string output_path) {
double frx = 0.0, fry = 0.0, frz = 0.0;
double cfmp, cfsp, sfmp, sfsp;
int jw;
- int nsph = gconf->number_of_spheres;
- C1 *c1 = new C1(nsph, gconf->l_max, sconf->nshl_vec, sconf->iog_vec);
- for (int i = 0; i < nsph; i++) {
- c1->ros[i] = sconf->radii_of_spheres[i];
- }
- C2 *c2 = new C2(nsph, 5, gconf->npnt, gconf->npntts);
+ int l_max = gconf->l_max;
+ C1 *c1 = new C1(gconf, sconf);
+ int npnt = gconf->npnt;
+ int npntts = gconf->npntts;
+ int in_pol = gconf->in_pol;
+ int meridional_type = gconf->iavm;
+ int jwtm = gconf->jwtm;
+ double in_theta_start = gconf->in_theta_start;
+ double in_theta_step = gconf->in_theta_step;
+ double in_theta_end = gconf->in_theta_end;
+ double sc_theta_start = gconf->sc_theta_start;
+ double sc_theta_step = gconf->sc_theta_step;
+ double sc_theta_end = gconf->sc_theta_end;
+ double in_phi_start = gconf->in_phi_start;
+ double in_phi_step = gconf->in_phi_step;
+ double in_phi_end = gconf->in_phi_end;
+ double sc_phi_start = gconf->sc_phi_start;
+ double sc_phi_step = gconf->sc_phi_step;
+ double sc_phi_end = gconf->sc_phi_end;
+ C2 *c2 = new C2(gconf, sconf);
argi = new double[1];
args = new double[1];
gaps = new double[2];
@@ -117,41 +142,37 @@ void sphere(string config_file, string data_file, string output_path) {
fprintf(
output,
" %5d%5d%5d%5d%5d%5d\n",
- gconf->number_of_spheres,
- gconf->l_max,
- gconf->in_pol,
- gconf->npnt,
- gconf->npntts,
- gconf->meridional_type
+ nsph,
+ l_max,
+ in_pol,
+ npnt,
+ npntts,
+ meridional_type
);
fprintf(output, " READ(IR,*)TH,THSTP,THLST,THS,THSSTP,THSLST\n");
fprintf(
output,
" %9.3lE %9.3lE %9.3lE %9.3lE %9.3lE %9.3lE\n",
- gconf->in_theta_start,
- gconf->in_theta_step,
- gconf->in_theta_end,
- gconf->sc_theta_start,
- gconf->sc_theta_step,
- gconf->sc_theta_end
+ in_theta_start,
+ in_theta_step,
+ in_theta_end,
+ sc_theta_start,
+ sc_theta_step,
+ sc_theta_end
);
fprintf(output, " READ(IR,*)PH,PHSTP,PHLST,PHS,PHSSTP,PHSLST\n");
fprintf(
output,
" %9.3lE %9.3lE %9.3lE %9.3lE %9.3lE %9.3lE\n",
- gconf->in_phi_start,
- gconf->in_phi_step,
- gconf->in_phi_end,
- gconf->sc_phi_start,
- gconf->sc_phi_step,
- gconf->sc_phi_end
+ in_phi_start,
+ in_phi_step,
+ in_phi_end,
+ sc_phi_start,
+ sc_phi_step,
+ sc_phi_end
);
fprintf(output, " READ(IR,*)JWTM\n");
- fprintf(
- output,
- " %5d\n",
- gconf->jwtm
- );
+ fprintf(output, " %5d\n", jwtm);
fprintf(output, " READ(ITIN)NSPHT\n");
fprintf(output, " READ(ITIN)(IOG(I),I=1,NSPH)\n");
fprintf(output, " READ(ITIN)EXDC,WP,XIP,IDFC,NXI\n");
@@ -160,36 +181,36 @@ void sphere(string config_file, string data_file, string output_path) {
fprintf(output, " READ(ITIN)(RCF(I,NS),NS=1,NSH)\n \n");
double sml = 1.0e-3;
int nth = 0, nph = 0;
- if (gconf->in_theta_step != 0.0)
- nth = int((gconf->in_theta_end - gconf->in_theta_start) / gconf->in_theta_step + sml);
+ if (in_theta_step != 0.0)
+ nth = int((in_theta_end - in_theta_start) / in_theta_step + sml);
nth += 1;
- if (gconf->in_phi_step != 0.0)
- nph = int((gconf->in_phi_end - gconf->in_phi_start) / gconf->in_phi_step + sml);
+ if (in_phi_step != 0.0)
+ nph = int((in_phi_end - in_phi_start) / in_phi_step + sml);
nph += 1;
int nths = 0, nphs = 0;
double thsca;
- if (gconf->meridional_type > 1) { // ISAM > 1, fixed scattering angle
+ if (meridional_type > 1) { // ISAM > 1, fixed scattering angle
nths = 1;
- thsca = gconf->sc_theta_start - gconf->in_theta_start;
+ thsca = sc_theta_start - in_theta_start;
} else { //ISAM <= 1
- if (gconf->in_theta_step != 0.0)
- nths = int((gconf->sc_theta_end - gconf->sc_theta_start) / gconf->sc_theta_step + sml);
+ if (in_theta_step != 0.0)
+ nths = int((sc_theta_end - sc_theta_start) / sc_theta_step + sml);
nths += 1;
- if (gconf->meridional_type == 1) { // ISAM = 1
+ if (meridional_type == 1) { // ISAM = 1
nphs = 1;
} else { // ISAM < 1
- if (gconf->sc_phi_step != 0.0)
- nphs = int((gconf->sc_phi_end - gconf->sc_phi_start) / gconf->sc_phi_step + sml);
+ if (sc_phi_step != 0.0)
+ nphs = int((sc_phi_end - sc_phi_start) / sc_phi_step + sml);
nphs += 1;
}
}
int nk = nth * nph;
int nks = nths * nphs;
int nkks = nk * nks;
- double th1 = gconf->in_theta_start;
- double ph1 = gconf->in_phi_start;
- double ths1 = gconf->sc_theta_start;
- double phs1 = gconf->sc_phi_start;
+ double th1 = in_theta_start;
+ double ph1 = in_phi_start;
+ double ths1 = sc_theta_start;
+ double phs1 = sc_phi_start;
const double half_pi = acos(0.0);
const double pi = 2.0 * half_pi;
double gcs = 0.0;
@@ -201,13 +222,13 @@ void sphere(string config_file, string data_file, string output_path) {
c1->gcsv[i116] = gcss;
int nsh = c1->nshl[i116];
for (int j115 = 0; j115 < nsh; j115++) {
- c1->rc[i116][j115] = sconf->rcf[i116][j115] * c1->ros[i116];
+ c1->rc[i116][j115] = sconf->get_rcf(i116, j115) * c1->ros[i116];
}
}
- gcs += c1->gcsv[iogi];
+ gcs += c1->gcsv[iogi - 1];
}
- double ****zpv = new double***[gconf->l_max]; //[gconf->l_max][3][2][2]; // Matrix: dim[LM x 3 x 2 x 2]
- for (int zi = 0; zi < gconf->l_max; zi++) {
+ double ****zpv = new double***[l_max]; //[l_max][3][2][2]; // Matrix: dim[LM x 3 x 2 x 2]
+ for (int zi = 0; zi < l_max; zi++) {
zpv[zi] = new double**[3];
for (int zj = 0; zj < 3; zj++) {
zpv[zi][zj] = new double*[2];
@@ -216,8 +237,9 @@ void sphere(string config_file, string data_file, string output_path) {
}
}
}
- thdps(gconf->l_max, zpv);
- double exri = sqrt(sconf->exdc);
+ thdps(l_max, zpv);
+ double exdc = sconf->exdc;
+ double exri = sqrt(exdc);
fprintf(output, " REFR. INDEX OF EXTERNAL MEDIUM=%15.7lE\n", exri);
fstream tppoan;
string tppoan_name = output_path + "/c_TPPOAN";
@@ -225,9 +247,9 @@ void sphere(string config_file, string data_file, string output_path) {
if (tppoan.is_open()) {
int imode = 10;
tppoan.write(reinterpret_cast<char *>(&imode), sizeof(int));
- tppoan.write(reinterpret_cast<char *>(&(gconf->meridional_type)), sizeof(int));
- tppoan.write(reinterpret_cast<char *>(&(gconf->in_pol)), sizeof(int));
- tppoan.write(reinterpret_cast<char *>(&(sconf->number_of_scales)), sizeof(int));
+ tppoan.write(reinterpret_cast<char *>(&(meridional_type)), sizeof(int));
+ tppoan.write(reinterpret_cast<char *>(&(in_pol)), sizeof(int));
+ tppoan.write(reinterpret_cast<char *>(&s_nsph), sizeof(int));
tppoan.write(reinterpret_cast<char *>(&nth), sizeof(int));
tppoan.write(reinterpret_cast<char *>(&nph), sizeof(int));
tppoan.write(reinterpret_cast<char *>(&nths), sizeof(int));
@@ -235,24 +257,28 @@ void sphere(string config_file, string data_file, string output_path) {
tppoan.write(reinterpret_cast<char *>(&nsph), sizeof(int));
for (int nsi = 0; nsi < nsph; nsi++)
- tppoan.write(reinterpret_cast<char *>(&(sconf->iog_vec[nsi])), sizeof(int));
- if (gconf->in_pol == 0) fprintf(output, " LIN\n");
+ tppoan.write(reinterpret_cast<char *>(&(c1->iog[nsi])), sizeof(int));
+ if (in_pol == 0) fprintf(output, " LIN\n");
else fprintf(output, " CIRC\n");
fprintf(output, " \n");
- double wn = sconf->wp / 3.0e8;
+ double wp = sconf->wp;
+ double xip = sconf->xip;
+ double wn = wp / 3.0e8;
double sqsfi = 1.0;
double vk, vkarg;
- if (sconf->idfc < 0) {
- vk = sconf->xip * wn;
+ int idfc = sconf->idfc;
+ int nxi = sconf->number_of_scales;
+ if (idfc < 0) {
+ vk = xip * wn;
fprintf(output, " VK=%15.7lE, XI IS SCALE FACTOR FOR LENGTHS\n", vk);
fprintf(output, " \n");
}
- for (int jxi488 = 0; jxi488 < sconf->number_of_scales; jxi488++) {
+ for (int jxi488 = 0; jxi488 < nxi; jxi488++) {
int jxi = jxi488 + 1;
- printf("INFO: running scale iteration %d of %d...\n", jxi, sconf->number_of_scales);
+ logger->log("INFO: running scale iteration " + to_string(jxi) + " of " + to_string(nxi) + ".\n");
fprintf(output, "========== JXI =%3d ====================\n", jxi);
- double xi = sconf->scale_vec[jxi488];
- if (sconf->idfc >= 0) {
+ double xi = sconf->get_scale(jxi488);
+ if (idfc >= 0) {
vk = xi * wn;
vkarg = vk;
fprintf(output, " VK=%15.7lE, XI=%15.7lE\n", xi, vk);
@@ -264,54 +290,101 @@ void sphere(string config_file, string data_file, string output_path) {
tppoan.write(reinterpret_cast<char *>(&vk), sizeof(double));
for (int i132 = 0; i132 < nsph; i132++) {
int i = i132 + 1;
- int iogi = sconf->iog_vec[i132];
+ int iogi = c1->iog[i132];
if (iogi != i) {
- for (int l123 = 0; l123 < gconf->l_max; l123++) {
+ for (int l123 = 0; l123 < l_max; l123++) {
c1->rmi[l123][i132] = c1->rmi[l123][iogi - 1];
c1->rei[l123][i132] = c1->rei[l123][iogi - 1];
}
continue; // i132
}
- int nsh = sconf->nshl_vec[i132];
+ int nsh = c1->nshl[i132];
int ici = (nsh + 1) / 2;
- if (sconf->idfc == 0) {
+ if (idfc == 0) {
for (int ic = 0; ic < ici; ic++)
- c2->dc0[ic] = sconf->dc0_matrix[ic][i132][0]; // WARNING: IDFC=0 is not tested!
+ c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132, 0); // WARNING: IDFC=0 is not tested!
} else { // IDFC != 0
if (jxi == 1) {
for (int ic = 0; ic < ici; ic++) {
- c2->dc0[ic] = sconf->dc0_matrix[ic][i132][jxi488];
+ c2->dc0[ic] = sconf->get_dielectric_constant(ic, i132, jxi488);
}
}
}
- if (nsh % 2 == 0) c2->dc0[ici] = sconf->exdc;
+ if (nsh % 2 == 0) c2->dc0[ici] = exdc;
int jer = 0;
int lcalc = 0;
- dme(
- gconf->l_max, i, gconf->npnt, gconf->npntts, vkarg,
- sconf->exdc, exri, c1, c2, jer, lcalc, arg
- );
+ dme(l_max, i, npnt, npntts, vkarg, exdc, exri, c1, c2, jer, lcalc, arg);
if (jer != 0) {
fprintf(output, " STOP IN DME\n");
fprintf(output, " AT %1d LCALC=%3d TOO SMALL WITH ARG=%15.7lE+i(%15.7lE)\n", jer, lcalc, real(arg), imag(arg));
tppoan.close();
fclose(output);
+ delete sconf;
+ delete gconf;
+ delete c1;
+ delete c2;
+ for (int zi = l_max - 1; zi > -1; zi--) {
+ for (int zj = 0; zj < 3; zj++) {
+ for (int zk = 0; zk < 2; zk++) {
+ delete[] zpv[zi][zj][zk];
+ }
+ delete[] zpv[zi][zj];
+ }
+ delete[] zpv[zi];
+ }
+ delete[] zpv;
+ delete[] duk;
+ delete[] u;
+ delete[] us;
+ delete[] un;
+ delete[] uns;
+ delete[] up;
+ delete[] ups;
+ delete[] upmp;
+ delete[] upsmp;
+ delete[] unmp;
+ delete[] unsmp;
+ delete[] argi;
+ delete[] args;
+ delete[] gaps;
+ for (int i = 3; i > -1; i--) {
+ delete[] cmul[i];
+ delete[] cmullr[i];
+ }
+ delete[] cmul;
+ delete[] cmullr;
+ for (int ti = 1; ti > -1; ti--) {
+ delete[] tqse[ti];
+ delete[] tqss[ti];
+ delete[] tqspe[ti];
+ delete[] tqsps[ti];
+ }
+ delete[] tqse;
+ delete[] tqss;
+ delete[] tqspe;
+ delete[] tqsps;
+ delete logger;
return;
}
} // i132
- if (sconf->idfc >= 0 and nsph == 1 and jxi == gconf->jwtm) {
+ if (idfc >= 0 and nsph == 1 and jxi == jwtm) {
// This is the condition that writes the transition matrix to output.
- TransitionMatrix ttms(gconf->l_max, vk, exri, c1->rmi, c1->rei, sconf->radii_of_spheres[0]);
string ttms_name = output_path + "/c_TTMS.hd5";
- ttms.write_binary(ttms_name, "HDF5");
+ TransitionMatrix::write_binary(
+ ttms_name, l_max, vk, exri, c1->rmi, c1->rei,
+ sconf->get_radius(0), "HDF5"
+ );
ttms_name = output_path + "/c_TTMS";
- ttms.write_binary(ttms_name);
+ TransitionMatrix::write_binary(
+ ttms_name, l_max, vk, exri, c1->rmi, c1->rei,
+ sconf->get_radius(0)
+ );
}
double cs0 = 0.25 * vk * vk * vk / half_pi;
- sscr0(tfsas, nsph, gconf->l_max, vk, exri, c1);
- double sqk = vk * vk * sconf->exdc;
- aps(zpv, gconf->l_max, nsph, c1, sqk, gaps);
- rabas(gconf->in_pol, gconf->l_max, nsph, c1, tqse, tqspe, tqss, tqsps);
+ sscr0(tfsas, nsph, l_max, vk, exri, c1);
+ double sqk = vk * vk * exdc;
+ aps(zpv, l_max, nsph, c1, sqk, gaps);
+ rabas(in_pol, l_max, nsph, c1, tqse, tqspe, tqss, tqsps);
for (int i170 = 0; i170 < nsph; i170++) {
int i = i170 + 1;
if (c1->iog[i170] >= i) {
@@ -406,8 +479,8 @@ void sphere(string config_file, string data_file, string output_path) {
if (!goto182) {
upvmp(th, ph, 0, cost, sint, cosp, sinp, u, upmp, unmp);
}
- if (gconf->meridional_type >= 0) {
- wmamp(0, cost, sint, cosp, sinp, gconf->in_pol, gconf->l_max, 0, nsph, argi, u, upmp, unmp, c1);
+ if (meridional_type >= 0) {
+ wmamp(0, cost, sint, cosp, sinp, in_pol, l_max, 0, nsph, argi, u, upmp, unmp, c1);
for (int i183 = 0; i183 < nsph; i183++) {
double rapr = c1->sexs[i183] - gaps[i183];
frx = rapr * u[0];
@@ -422,8 +495,8 @@ void sphere(string config_file, string data_file, string output_path) {
int jths = jths482 + 1;
double ths = thsl;
int icspnv = 0;
- if (gconf->meridional_type > 1) ths = th + thsca;
- if (gconf->meridional_type >= 1) {
+ if (meridional_type > 1) ths = th + thsca;
+ if (meridional_type >= 1) {
phsph = 0.0;
if ((ths < 0.0) || (ths > 180.0)) phsph = 180.0;
if (ths < 0.0) ths *= -1.0;
@@ -433,24 +506,24 @@ void sphere(string config_file, string data_file, string output_path) {
double phs = phs1;
for (int jphs480 = 0; jphs480 < nphs; jphs480++) {
int jphs = jphs480 + 1;
- if (gconf->meridional_type >= 1) {
+ if (meridional_type >= 1) {
phs = ph + phsph;
if (phs >= 360.0) phs -= 360.0;
}
bool goto190 = (nks == 1) && ((jxi > 1) || (jth > 1) || (jph > 1));
if (!goto190) {
upvmp(ths, phs, icspnv, costs, sints, cosps, sinps, us, upsmp, unsmp);
- if (gconf->meridional_type >= 0) {
- wmamp(2, costs, sints, cosps, sinps, gconf->in_pol, gconf->l_max, 0, nsph, args, us, upsmp, unsmp, c1);
+ if (meridional_type >= 0) {
+ wmamp(2, costs, sints, cosps, sinps, in_pol, l_max, 0, nsph, args, us, upsmp, unsmp, c1);
}
}
if (nkks != 0 || jxi == 1) {
upvsp(u, upmp, unmp, us, upsmp, unsmp, up, un, ups, uns, duk, isq, ibf, scan, cfmp, sfmp, cfsp, sfsp);
- if (gconf->meridional_type < 0) {
+ if (meridional_type < 0) {
wmasp(
cost, sint, cosp, sinp, costs, sints, cosps, sinps,
- u, up, un, us, ups, uns, isq, ibf, gconf->in_pol,
- gconf->l_max, 0, nsph, argi, args, c1
+ u, up, un, us, ups, uns, isq, ibf, in_pol,
+ l_max, 0, nsph, argi, args, c1
);
}
for (int i193 = 0; i193 < 3; i193++) {
@@ -458,7 +531,7 @@ void sphere(string config_file, string data_file, string output_path) {
uns[i193] = unsmp[i193];
}
}
- if (gconf->meridional_type < 0) jw = 1;
+ if (meridional_type < 0) jw = 1;
tppoan.write(reinterpret_cast<char *>(&th), sizeof(double));
tppoan.write(reinterpret_cast<char *>(&ph), sizeof(double));
tppoan.write(reinterpret_cast<char *>(&ths), sizeof(double));
@@ -483,13 +556,13 @@ void sphere(string config_file, string data_file, string output_path) {
fprintf(output, " SCAND=%10.3lE\n", scan);
fprintf(output, " CFMP=%15.7lE, SFMP=%15.7lE\n", cfmp, sfmp);
fprintf(output, " CFSP=%15.7lE, SFSP=%15.7lE\n", cfsp, sfsp);
- if (gconf->meridional_type >= 0) {
+ if (meridional_type >= 0) {
fprintf(output, " UNI=(%12.5lE,%12.5lE,%12.5lE)\n", un[0], un[1], un[2]);
fprintf(output, " UNS=(%12.5lE,%12.5lE,%12.5lE)\n", uns[0], uns[1], uns[2]);
} else {
fprintf(output, " UN=(%12.5lE,%12.5lE,%12.5lE)\n", un[0], un[1], un[2]);
}
- sscr2(nsph, gconf->l_max, vk, exri, c1);
+ sscr2(nsph, l_max, vk, exri, c1);
for (int ns226 = 0; ns226 < nsph; ns226++) {
int ns = ns226 + 1;
fprintf(output, " SPHERE %2d\n", ns);
@@ -538,24 +611,24 @@ void sphere(string config_file, string data_file, string output_path) {
}
}
} // ns226 loop
- if (gconf->meridional_type < 1) phs += gconf->sc_phi_step;
+ if (meridional_type < 1) phs += sc_phi_step;
} // jphs480 loop
- if (gconf->meridional_type <= 1) thsl += gconf->sc_theta_step;
+ if (meridional_type <= 1) thsl += sc_theta_step;
} // jths482 loop
- ph += gconf->in_phi_step;
+ ph += in_phi_step;
} // jph484 loop on elevation
- th += gconf->in_theta_step;
+ th += in_theta_step;
} // jth486 loop on azimuth
- printf("INFO: done scale.\n");
+ logger->log("INFO: finished scale iteration " + to_string(jxi) + " of " + to_string(nxi) + ".\n");
} //jxi488 loop on scales
tppoan.close();
} else { // In case TPPOAN could not be opened. Should never happen.
- printf("ERROR: failed to open TPPOAN file.\n");
+ logger->err("ERROR: failed to open TPPOAN file.\n");
}
fclose(output);
delete c1;
delete c2;
- for (int zi = gconf->l_max - 1; zi > -1; zi--) {
+ for (int zi = l_max - 1; zi > -1; zi--) {
for (int zj = 0; zj < 3; zj++) {
for (int zk = 0; zk < 2; zk++) {
delete[] zpv[zi][zj][zk];
@@ -595,7 +668,7 @@ void sphere(string config_file, string data_file, string output_path) {
delete[] tqss;
delete[] tqspe;
delete[] tqsps;
- printf("Finished: output written to %s.\n", (output_path + "/c_OSPH").c_str());
+ logger->log("Finished: output written to " + output_path + "/c_OSPH.\n");
} else { // NSPH mismatch between geometry and scatterer configurations.
throw UnrecognizedConfigurationException(
"Inconsistent geometry and scatterer configurations."
@@ -603,4 +676,5 @@ void sphere(string config_file, string data_file, string output_path) {
}
delete sconf;
delete gconf;
+ delete logger;
}
diff --git a/src/trapping/cfrfme.cpp b/src/trapping/cfrfme.cpp
index 2cd6ab9f33a227aff22d4255d4cdf48d01ccdb08..eb26b6c0b634cf50c75acb097d74116708e0ed8d 100644
--- a/src/trapping/cfrfme.cpp
+++ b/src/trapping/cfrfme.cpp
@@ -18,14 +18,18 @@
#include "../include/Parsers.h"
#endif
-#ifndef INCLUDE_COMMONS_H_
-#include "../include/Commons.h"
+#ifndef INCLUDE_LOGGING_H_
+#include "../include/logging.h"
#endif
#ifndef INCLUDE_CONFIGURATION_H_
#include "../include/Configuration.h"
#endif
+#ifndef INCLUDE_COMMONS_H_
+#include "../include/Commons.h"
+#endif
+
#ifndef INCLUDE_SPH_SUBS_H_
#include "../include/sph_subs.h"
#endif
@@ -176,13 +180,13 @@ void frfme(string data_file, string output_path) {
ScattererConfiguration *tedf = ScattererConfiguration::from_binary(tedf_name, "HDF5");
if (tedf != NULL) {
int iduml, idum;
- iduml = (int)tedf->get_param("nsph");
+ iduml = tedf->number_of_spheres;
idum = tedf->get_iog(iduml - 1);
- exdc = tedf->get_param("exdc");
- wp = tedf->get_param("wp");
- xip = tedf->get_param("xip");
- idfc = (int)tedf->get_param("idfc");
- nxi = (int)tedf->get_param("nxi");
+ exdc = tedf->exdc;
+ wp = tedf->wp;
+ xip = tedf->xip;
+ idfc = tedf->idfc;
+ nxi = tedf->number_of_scales;
if (idfc >= 0) {
if (ixi <= nxi) {
xi = tedf->get_scale(ixi - 1);
diff --git a/src/trapping/clffft.cpp b/src/trapping/clffft.cpp
index a8033d8098c08694464fe1ab1ac206c84fd18f04..4107563a8d566fb3a2ecd8ee0c9ee0e7216d362e 100644
--- a/src/trapping/clffft.cpp
+++ b/src/trapping/clffft.cpp
@@ -18,6 +18,14 @@
#include "../include/Parsers.h"
#endif
+#ifndef INCLUDE_LOGGING_H_
+#include "../include/logging.h"
+#endif
+
+#ifndef INCLUDE_CONFIGURATION_H_
+#include "../include/Configuration.h"
+#endif
+
#ifndef INCLUDE_COMMONS_H_
#include "../include/Commons.h"
#endif