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Commit b525842a authored by Giovanni La Mura's avatar Giovanni La Mura
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Complete migration of edfb.f to edfb.cpp

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with 273 additions and 13 deletions
src/sphere/edfb.cpp
+ 273
− 13
View file @ b525842a
...@@ -50,19 +50,19 @@ int main(int argc, char **argv) { ...@@ -50,19 +50,19 @@ int main(int argc, char **argv) {
// Input file reading section // Input file reading section
int num_lines = 0; int num_lines = 0;
int last_read_line; // Keep track of where INXI left the input stream int last_read_line = 0; // Keep track of where the input stream was left
string *file_lines = load_file("../../test_data/sphere/DEDFB", &num_lines); string *file_lines = load_file("../../test_data/sphere/DEDFB", &num_lines);
// Configuration code // Configuration code
int nsph, ies; int nsph, ies;
sscanf(file_lines[0].c_str(), " %d %d", &nsph, &ies); sscanf(file_lines[last_read_line].c_str(), " %d %d", &nsph, &ies);
if (ies != 0) ies = 1; if (ies != 0) ies = 1;
double exdc, wp, xip; double exdc, wp, xip;
int exdc_exp, wp_exp, xip_exp; int exdc_exp, wp_exp, xip_exp;
int idfc, nxi, instpc, insn; int idfc, nxi, instpc, insn;
int nsh; int nsh;
sscanf( sscanf(
file_lines[1].c_str(), file_lines[++last_read_line].c_str(),
" %9lf D%d %9lf D%d %8lf D%d %d %d %d %d", " %9lf D%d %9lf D%d %8lf D%d %d %d %d %d",
&exdc, &exdc_exp, &exdc, &exdc_exp,
&wp, &wp_exp, &wp, &wp_exp,
...@@ -78,28 +78,274 @@ int main(int argc, char **argv) { ...@@ -78,28 +78,274 @@ int main(int argc, char **argv) {
const double pigt = acos(0.0) * 4.0; const double pigt = acos(0.0) * 4.0;
const double evc = 6.5821188e-16; const double evc = 6.5821188e-16;
if (idfc >= 0) { if (idfc >= 0) {
printf("Not walked by input data.\n"); // Not walked by default input data
// This part of the code in not tested
vss = new double[nxi];
xiv = new double[nxi];
pus = new double[nxi];
evs = new double[nxi];
wns = new double[nxi];
wls = new double[nxi];
if (instpc == 0) { // The variable vector is explicitly defined
double vs;
int vs_exp;
for (int jxi_r = 0; jxi_r < nxi; jxi_r++) {
sscanf(file_lines[++last_read_line].c_str(), " %lf D%d", &vs, &vs_exp);
vs *= pow(10.0, vs_exp);
vss[jxi_r] = vs;
}
switch (insn) {
case 1: //xi vector definition
vns[insn - 1] = "XIV";
fprintf(output, " JXI XIV WNS WLS PUS EVS\n");
for (int jxi210w = 0; jxi210w < nxi; jxi210w++) {
xiv[jxi210w] = vss[jxi210w];
pus[jxi210w] = xiv[jxi210w] * wp;
evs[jxi210w] = pus[jxi210w] * evc;
wns[jxi210w] = pus[jxi210w] / 3.0e8;
wls[jxi210w] = pigt / wns[jxi210w];
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi210w + 1),
xiv[jxi210w],
wns[jxi210w],
wls[jxi210w],
pus[jxi210w],
evs[jxi210w]
);
}
break;
case 2: //wave number vector definition
vns[insn - 1] = "WNS";
fprintf(output, " JXI WNS WLS PUS EVS XIV\n");
for (int jxi230w = 0; jxi230w < nxi; jxi230w++) {
wns[jxi230w] = vss[jxi230w];
wls[jxi230w] = pigt / wns[jxi230w];
xiv[jxi230w] = 3.0e8 * wns[jxi230w] / wp;
pus[jxi230w] = xiv[jxi230w] * wp;
evs[jxi230w] = pus[jxi230w] * evc;
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi230w + 1),
wns[jxi230w],
wls[jxi230w],
pus[jxi230w],
evs[jxi230w],
xiv[jxi230w]
);
}
break;
case 3: //wavelength vector definition
vns[insn - 1] = "WLS";
fprintf(output, " JXI WLS WNS PUS EVS XIV\n");
for (int jxi250w = 0; jxi250w < nxi; jxi250w++) {
wls[jxi250w] = vss[jxi250w];
wns[jxi250w] = pigt / wls[jxi250w];
xiv[jxi250w] = 3.0e8 * wns[jxi250w] / wp;
pus[jxi250w] = xiv[jxi250w] * wp;
evs[jxi250w] = pus[jxi250w] * evc;
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi250w + 1),
wls[jxi250w],
wns[jxi250w],
pus[jxi250w],
evs[jxi250w],
xiv[jxi250w]
);
}
break;
case 4: //pu vector definition
vns[insn - 1] = "PUS";
fprintf(output, " JXI PUS WNS WLS EVS XIV\n");
for (int jxi270w = 0; jxi270w < nxi; jxi270w++) {
pus[jxi270w] = vss[jxi270w];
xiv[jxi270w] = pus[jxi270w] / wp;
wns[jxi270w] = pus[jxi270w] / 3.0e8;
wls[jxi270w] = pigt / wns[jxi270w];
evs[jxi270w] = pus[jxi270w] * evc;
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi270w + 1),
pus[jxi270w],
wns[jxi270w],
wls[jxi270w],
evs[jxi270w],
xiv[jxi270w]
);
}
break;
case 5: //eV vector definition
vns[insn - 1] = "EVS";
fprintf(output, " JXI EVS WNS WLS PUS XIV\n");
for (int jxi290w = 0; jxi290w < nxi; jxi290w++) {
evs[jxi290w] = vss[jxi290w];
pus[jxi290w] = evs[jxi290w] / evc;
xiv[jxi290w] = pus[jxi290w] / wp;
wns[jxi290w] = pus[jxi290w] / 3.0e8;
wls[jxi290w] = pigt / wns[jxi290w];
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi290w + 1),
evs[jxi290w],
wns[jxi290w],
wls[jxi290w],
pus[jxi290w],
xiv[jxi290w]
);
}
break;
}
} else { // The variable vector needs to be computed in steps
double vs, vs_step;
int vs_exp, vs_step_exp;
sscanf(file_lines[++last_read_line].c_str(), " %lf D%d %lf D%d", &vs, &vs_exp, &vs_step, &vs_step_exp);
vs *= pow(10.0, vs_exp);
vs_step *= pow(10.0, vs_step_exp);
switch (insn) {
case 1: //xi vector definition
vns[insn - 1] = "XIV";
fprintf(output, " JXI XIV WNS WLS PUS EVS\n");
for (int jxi110w = 0; jxi110w < nxi; jxi110w++) {
vss[jxi110w] = vs;
xiv[jxi110w] = vss[jxi110w];
pus[jxi110w] = xiv[jxi110w] * wp;
wns[jxi110w] = pus[jxi110w] / 3.0e8;
evs[jxi110w] = pus[jxi110w] * evc;
wls[jxi110w] = pigt / wns[jxi110w];
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi110w + 1),
xiv[jxi110w],
wns[jxi110w],
wls[jxi110w],
pus[jxi110w],
evs[jxi110w]
);
vs += vs_step;
}
break;
case 2: //wave number vector definition
vns[insn - 1] = "WNS";
fprintf(output, " JXI WNS WLS PUS EVS XIV\n");
for (int jxi130w = 0; jxi130w < nxi; jxi130w++) {
vss[jxi130w] = vs;
wns[jxi130w] = vss[jxi130w];
xiv[jxi130w] = 3.0e8 * wns[jxi130w] / wp;
pus[jxi130w] = xiv[jxi130w] * wp;
wls[jxi130w] = pigt / wns[jxi130w];
evs[jxi130w] = pus[jxi130w] * evc;
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi130w + 1),
wns[jxi130w],
wls[jxi130w],
pus[jxi130w],
evs[jxi130w],
xiv[jxi130w]
);
vs += vs_step;
}
break;
case 3: //wavelength vector definition
vns[insn - 1] = "WLS";
fprintf(output, " JXI WLS WNS PUS EVS XIV\n");
for (int jxi150w = 0; jxi150w < nxi; jxi150w++) {
vss[jxi150w] = vs;
wls[jxi150w] = vss[jxi150w];
wns[jxi150w] = pigt / wls[jxi150w];
xiv[jxi150w] = 3.0e8 * wns[jxi150w] / wp;
pus[jxi150w] = xiv[jxi150w] * wp;
evs[jxi150w] = pus[jxi150w] * evc;
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi150w + 1),
wls[jxi150w],
wns[jxi150w],
pus[jxi150w],
evs[jxi150w],
xiv[jxi150w]
);
vs += vs_step;
}
break;
case 4: //pu vector definition
vns[insn - 1] = "PUS";
fprintf(output, " JXI PUS WNS WLS EVS XIV\n");
for (int jxi170w = 0; jxi170w < nxi; jxi170w++) {
vss[jxi170w] = vs;
pus[jxi170w] = vss[jxi170w];
xiv[jxi170w] = pus[jxi170w] / wp;
wns[jxi170w] = pus[jxi170w] / 3.0e8;
wls[jxi170w] = pigt / wns[jxi170w];
evs[jxi170w] = pus[jxi170w] * evc;
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi170w + 1),
pus[jxi170w],
wns[jxi170w],
wls[jxi170w],
evs[jxi170w],
xiv[jxi170w]
);
vs += vs_step;
}
break;
case 5: //eV vector definition
vns[insn - 1] = "EVS";
fprintf(output, " JXI EVS WNS WLS PUS XIV\n");
for (int jxi190w = 0; jxi190w < nxi; jxi190w++) {
vss[jxi190w] = vs;
evs[jxi190w] = vss[jxi190w];
pus[jxi190w] = evs[jxi190w] / evc;
xiv[jxi190w] = pus[jxi190w] / wp;
wns[jxi190w] = pus[jxi190w] / 3.0e8;
wls[jxi190w] = pigt / wns[jxi190w];
fprintf(
output,
"%5d %13.4lE %13.4lE %13.4lE %13.4lE %13.4lE\n",
(jxi190w + 1),
evs[jxi190w],
wns[jxi190w],
wls[jxi190w],
pus[jxi190w],
xiv[jxi190w]
);
vs += vs_step;
}
break;
}
}
// End of the untested code section.
} else { } else {
if (instpc < 1) { if (instpc < 1) {
// In this case the XI vector is explicitly defined. // In this case the XI vector is explicitly defined.
// Test input comes this way. // Test input comes this way.
vns[insn] = "XIV"; double xi, pu, wn;
List<double> xi_vector;
double xi;
int xi_exp; int xi_exp;
sscanf(file_lines[2].c_str(), " %9lE D%d", &xi, &xi_exp); vns[insn - 1] = "XIV";
List<double> xi_vector;
sscanf(file_lines[++last_read_line].c_str(), " %9lE D%d", &xi, &xi_exp);
xi *= pow(10.0, xi_exp); xi *= pow(10.0, xi_exp);
xi_vector.set(0, xi); xi_vector.set(0, xi);
for (int jxi310 = 1; jxi310 < nxi; jxi310++) { for (int jxi310 = 1; jxi310 < nxi; jxi310++) {
sscanf(file_lines[2 + jxi310].c_str(), " %9lE D%d", &xi, &xi_exp); sscanf(file_lines[++last_read_line].c_str(), " %9lE D%d", &xi, &xi_exp);
xi *= pow(10.0, xi_exp); xi *= pow(10.0, xi_exp);
xi_vector.append(xi); xi_vector.append(xi);
last_read_line = 2 + jxi310;
} }
vss = xi_vector.to_array(); vss = xi_vector.to_array();
xiv = xi_vector.to_array(); xiv = xi_vector.to_array();
double pu = xip + wp; pu = xip + wp;
double wn = pu / 3.0e8; wn = pu / 3.0e8;
fprintf(output, " XIP WN WL PU EV\n"); fprintf(output, " XIP WN WL PU EV\n");
fprintf(output, " %13.4lE", xip); fprintf(output, " %13.4lE", xip);
fprintf(output, "%13.4lE", wn); fprintf(output, "%13.4lE", wn);
...@@ -198,7 +444,7 @@ int main(int argc, char **argv) { ...@@ -198,7 +444,7 @@ int main(int argc, char **argv) {
if (iog[i473 - 1] != i473) continue; if (iog[i473 - 1] != i473) continue;
ici = (nshl[i473 - 1] + 1) / 2; ici = (nshl[i473 - 1] + 1) / 2;
if (i473 == 1) ici += ies; if (i473 == 1) ici += ies;
fprintf(output, " SPHERE N. %d\n", i473); fprintf(output, " SPHERE N. %4d\n", i473);
for (int ic472 = 0; ic472 < ici; ic472++) { for (int ic472 = 0; ic472 < ici; ic472++) {
double dc0_real = dc0m[ic472][i473 - 1][0].real(), dc0_img = dc0m[ic472][i473 - 1][0].imag(); double dc0_real = dc0m[ic472][i473 - 1][0].real(), dc0_img = dc0m[ic472][i473 - 1][0].imag();
fprintf(output, "%5d %12.4lE%12.4lE\n", (ic472 + 1), dc0_real, dc0_img); fprintf(output, "%5d %12.4lE%12.4lE\n", (ic472 + 1), dc0_real, dc0_img);
...@@ -206,6 +452,20 @@ int main(int argc, char **argv) { ...@@ -206,6 +452,20 @@ int main(int argc, char **argv) {
} }
} else { } else {
fprintf(output, " DIELECTRIC FUNCTIONS\n"); fprintf(output, " DIELECTRIC FUNCTIONS\n");
for (int i478 = 1; i478 <= nsph; i478++) {
if (iog[i478 - 1] != i478) continue;
ici = (nshl[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 = %3c\n", ic477, vns[insn - 1].c_str());
for (int jxi476 = 0; jxi476 < nxi; jxi476++) {
double dc0_real = dc0m[ic477 - 1][i478 - 1][jxi476].real();
double dc0_img = dc0m[ic477 - 1][i478 - 1][jxi476].imag();
fprintf(output, "%5d (%12.4lE,%12.4lE)\n", (jxi476 + 1), dc0_real, dc0_img);
}
}
}
} }
fclose(output); fclose(output);
return 0; return 0;
......
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