From 2159e85c942a0ca1ce5151cd354d278df28db413 Mon Sep 17 00:00:00 2001
From: Giovanni La Mura <giovanni.lamura@inaf.it>
Date: Sun, 10 Dec 2023 20:21:48 +0100
Subject: [PATCH] Reconfigure doxygen to cover python scripts
---
doc/src/config.dox | 3 +-
src/scripts/{pycompare => pycompare.py} | 68 +++-
src/sphere/edfb.cpp | 495 ------------------------
3 files changed, 49 insertions(+), 517 deletions(-)
rename src/scripts/{pycompare => pycompare.py} (82%)
delete mode 100644 src/sphere/edfb.cpp
diff --git a/doc/src/config.dox b/doc/src/config.dox
index ee0f8baf..036f8e1b 100644
--- a/doc/src/config.dox
+++ b/doc/src/config.dox
@@ -986,7 +986,8 @@ INPUT_FILE_ENCODING =
FILE_PATTERNS = *.cpp \
*.f \
*.h \
- *.md
+ *.md \
+ *.py
# The RECURSIVE tag can be used to specify whether or not subdirectories should
# be searched for input files as well.
diff --git a/src/scripts/pycompare b/src/scripts/pycompare.py
similarity index 82%
rename from src/scripts/pycompare
rename to src/scripts/pycompare.py
index 4adeec21..04224c08 100755
--- a/src/scripts/pycompare
+++ b/src/scripts/pycompare.py
@@ -1,12 +1,32 @@
#!/bin/python
+## @package pycompare
+# Script to perform output consistency tests
+#
+# Comparing the numeric output can be rendered hard by the amount of information
+# contained in a typical output file and the necessity to determine whether a
+# difference is actually significant or just caused by numeric noise hitting
+# negligible values. The task of this script is to compare two output files, in
+# the assumption that they were written by the FORTRAN and the C++ versions of
+# the code and to flag all the possible inconsistencies according to various
+# severity levels (namely: NOISE, WARNING, and ERROR).
+
import re
from math import log10
from sys import argv
+## \cond
number_reg = re.compile(r'-?[0-9]\.[0-9]+E[-+][0-9]{2,2}')
+## \endcond
+## \brief Main execution code
+#
+# `main()` is the function that handles the creation of the script configuration
+# and the execution of the comparison. It returns an integer value corresponding
+# to the number of detected error-level inconsistencies.
+#
+# \returns errors: `int` Number of detected error-level inconsistencies.
def main():
config = parse_arguments()
errors, warnings, noisy = (0, 0, 0)
@@ -32,6 +52,7 @@ def main():
))
return errors
+## \brief Perform the comparison of two files.
def compare_files(config):
mismatch_count = {
'errors': 0,
@@ -78,8 +99,14 @@ def compare_files(config):
l_file.write(" </body>\n")
l_file.write("</html>\n")
l_file.close()
+ else:
+ mismatch_count['errors'] = len(c_lines)
+ print("ERROR: {0:s} and {1:s} have different numbers of lines!".format(
+ config['fortran_file_name'], config['c_file_name']
+ ))
return mismatch_count
+## \brief Perform the comparison of two file lines.
def compare_lines(f_line, c_line, config, line_num=0, num_len=1, log_file=None):
errors = 0
warnings = 0
@@ -156,26 +183,21 @@ def compare_lines(f_line, c_line, config, line_num=0, num_len=1, log_file=None):
log_file.write(log_line + "</code></pre></div>\n")
return (errors, warnings, noisy)
+## \brief Determine the severity of a numerical mismatch.
+#
+# The severity scale is currently designed with the following integer codes:
+# 0 - the values are equal
+# 1 - the values are subject to suspect numerical noise (green fonts)
+# 2 - the values are different but below error threshold (blue fonts)
+# 3 - the values differ more than error threshold (red fonts)
+#
+# \param str_f_values: `array(string)` The strings representing the numeric
+# values read from the FORTRAN output file.
+# \param str_c_values: `array(string)` The strings representing the numeric
+# values read from the C++ output file.
+# \param config: `dict` A dictionary containing the configuration options from
+# which to read the warning and the error threshold.
def mismatch_severities(str_f_values, str_c_values, config):
- """Determine the severity of a numerical mismatch.
-
- The severiti scale is currently designed with the following integer codes:
- 0 - the values are equal
- 1 - the values are subject to suspect numerical noise (green fonts)
- 2 - the values are different but below error threshold (blue fonts)
- 3 - the values differ more than error threshold (red fonts)
-
- -----------
- Parameters:
- str_f_values: `array(string)`
- The strings representing the numeric values read from the FORTRAN output
- file.
- str_c_values: `array(string)`
- The strings representing the numeric values read from the C++ output file.
- config: `dict`
- A dictionary containing the configuration options from which to read the
- warning and the error threshold.
- """
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]):
@@ -204,6 +226,7 @@ def mismatch_severities(str_f_values, str_c_values, config):
else: result[i] = 3
return result
+## \brief Parse the command line arguments.
def parse_arguments():
config = {
'fortran_file_name': '',
@@ -234,13 +257,14 @@ def parse_arguments():
raise Exception("Unrecognized argument \'{0:s}\'".format(arg))
return config
+## \brief Print a command-line help summary.
def print_help():
print(" ")
print("*** PYCOMPARE ***")
print(" ")
print("Compare the output of C++ and FORTRAN codes.")
print(" ")
- print("Usage: \"./pycompare OPTIONS\" ")
+ print("Usage: \"./pycompare.py OPTIONS\" ")
print(" ")
print("Valid options are: ")
print("--ffile=FORTRAN_OUTPUT File containing the output of the FORTRAN code (mandatory).")
@@ -253,7 +277,9 @@ def print_help():
print(" ")
-### PROGRAM EXECUTION ###
+# ### PROGRAM EXECUTION ###
+## \cond
res = main()
+## \endcond
if (res > 0): exit(1)
exit(0)
diff --git a/src/sphere/edfb.cpp b/src/sphere/edfb.cpp
deleted file mode 100644
index 5858e70f..00000000
--- a/src/sphere/edfb.cpp
+++ /dev/null
@@ -1,495 +0,0 @@
-/*! \file edfb.cpp
- */
-
-#include <cstdio>
-#include <cmath>
-#include <complex>
-#include <cstring>
-#include <iostream>
-#include <fstream>
-#include "../include/file_io.h"
-#include "../include/List.h"
-
-using namespace std;
-
-/*! \brief Load a text file as a sequence of strings in memory.
- *
- * The configuration of the field expansion code in FORTRAN uses
- * shared memory access and file I/O operations managed by different
- * functions. Although this approach could be theoretically replicated,
- * it is more convenient to handle input and output to distinct files
- * using specific functions. load_file() helps in the task of handling
- * input such as configuration files or text data structures that need
- * to be loaded entirely. The function performs a line-by line scan of
- * the input file and returns an array of strings that can be later
- * parsed and ingested by the concerned code blocks. An optional pointer
- * to integer allows the function to keep track of the number of file
- * lines that were read, if needed.
- *
- * \param file_name: `string` The path of the file to be read.
- * \param count: `int*` Pointer to an integer recording the number of
- * read lines [OPTIONAL, default=NULL].
- * \return array_lines `string*` An array of strings, one for each input
- * file line.
- */
-string *load_file(string file_name, int *count);
-
-/*! \brief C++ implementation of EDFB
- *
- * This code aims at replicating the original work-flow in C++.
- */
-int main(int argc, char **argv) {
- // Common variables set
- complex<double> *dc0, ***dc0m;
- double *ros, **rcf;
- int *iog, *nshl;
- double *xiv, *wns, *wls, *pus, *evs, *vss;
- string vns[5];
-
- int ici;
-
- // Input file reading section
- int num_lines = 0;
- 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);
-
- // Configuration code
- int nsph, ies;
- sscanf(file_lines[last_read_line].c_str(), " %d %d", &nsph, &ies);
- if (ies != 0) ies = 1;
- double exdc, wp, xip;
- int exdc_exp, wp_exp, xip_exp;
- int idfc, nxi, instpc, insn;
- int nsh;
- sscanf(
- file_lines[++last_read_line].c_str(),
- " %9lf D%d %9lf D%d %8lf D%d %d %d %d %d",
- &exdc, &exdc_exp,
- &wp, &wp_exp,
- &xip, &xip_exp,
- &idfc, &nxi, &instpc, &insn
- );
- exdc *= pow(10.0, exdc_exp);
- wp *= pow(10.0, wp_exp);
- xip *= pow(10.0, xip_exp);
-
- FILE *output = fopen("c_OEDFB", "w");
- // FORTRAN starts subroutine INXI at this point
- const double pigt = acos(0.0) * 4.0;
- const double evc = 6.5821188e-16;
- if (idfc >= 0) {
- // 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 {
- if (instpc < 1) {
- // In this case the XI vector is explicitly defined.
- // Test input comes this way.
- double xi, pu, wn;
- int 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_vector.set(0, xi);
- for (int jxi310 = 1; jxi310 < nxi; jxi310++) {
- sscanf(file_lines[++last_read_line].c_str(), " %9lE D%d", &xi, &xi_exp);
- xi *= pow(10.0, xi_exp);
- xi_vector.append(xi);
- }
- vss = xi_vector.to_array();
- xiv = xi_vector.to_array();
- pu = xip * wp;
- wn = pu / 3.0e8;
- fprintf(output, " XIP WN WL PU EV\n");
- fprintf(output, " %13.4lE", xip);
- fprintf(output, "%13.4lE", wn);
- fprintf(output, "%13.4lE", pigt / wn);
- fprintf(output, "%13.4lE", pu);
- fprintf(output, "%13.4lE\n", pu * evc);
- fprintf(output, " SCALE FACTORS XI\n");
- for (int jxi6612 = 1; jxi6612 <= nxi; jxi6612++)
- fprintf(output, "%5d%13.4lE\n", jxi6612, xiv[jxi6612 - 1]);
- //INXI branch ends here.
- }
- }
- last_read_line++;
- iog = new int[nsph];
- for (int i = 0; i < nsph; i++) {
- string read_format = "";
- for (int j = 0; j < i; j++) read_format += " %*d";
- read_format += " %d";
- sscanf(file_lines[last_read_line].c_str(), read_format.c_str(), (iog + i));
- }
- nshl = new int[nsph];
- ros = new double[nsph];
- rcf = new double*[nsph];
- for (int i113 = 1; i113 <= nsph; i113++) {
- int i_val;
- double ros_val;
- int ros_val_exp;
- if (iog[i113 - 1] < i113) continue;
- sscanf(file_lines[++last_read_line].c_str(), " %d %9lf D%d", &i_val, &ros_val, &ros_val_exp);
- nshl[i113 - 1] = i_val;
- ros[i113 - 1] = ros_val * pow(10.0, ros_val_exp);
- nsh = nshl[i113 -1];
- if (i113 == 1) nsh += ies;
- rcf[i113 - 1] = new double[nsh];
- for (int ns = 0; ns < nsh; ns++) {
- double ns_rcf;
- int ns_rcf_exp;
- sscanf(file_lines[++last_read_line].c_str(), " %8lf D%d", &ns_rcf, &ns_rcf_exp);
- rcf[i113 -1][ns] = ns_rcf * pow(10.0, ns_rcf_exp);
- }
- }
- // The FORTRAN code writes an auxiliary file in binary format. This should
- // be avoided or possibly replaced with the use of standard file formats for
- // scientific use (e.g. FITS).
- int uid = 27;
- string bin_file_name = "c_TEDF";
- string status = "UNKNOWN";
- string mode = "UNFORMATTED";
- open_file_(&uid, bin_file_name.c_str(), status.c_str(), mode.c_str());
- write_int_(&uid, &nsph);
- for (int iogi = 0; iogi < nsph; iogi++)
- write_int_(&uid, (iog + iogi));
- write_double_(&uid, &exdc);
- write_double_(&uid, &wp);
- write_double_(&uid, &xip);
- write_int_(&uid, &idfc);
- write_int_(&uid, &nxi);
- for (int xivi = 0; xivi < nxi; xivi++)
- write_double_(&uid, (xiv + xivi));
- for (int i115 = 1; i115 <= nsph; i115++) {
- if (iog[i115 - 1] < i115) continue;
- write_int_(&uid, (nshl + i115 -1));
- write_double_(&uid, (ros + i115 - 1));
- nsh = nshl[i115 - 1];
- if (i115 == 1) nsh += ies;
- for (int ins = 0; ins < nsh; ins++)
- write_double_(&uid, (rcf[i115 - 1] + ins));
- }
- // Remake the dc0m matrix.
- dc0m = new complex<double>**[nsph];
- for (int dim1 = 0; dim1 < nsph; dim1++) {
- dc0m[dim1] = new complex<double>*[nsph];
- for (int dim2 = 0; dim2 < nxi; dim2++) {
- dc0m[dim1][dim2] = new complex<double>[nxi];
- }
- }
- for (int jxi468 = 1; jxi468 <= nxi; jxi468++) {
- if (idfc != 0 && jxi468 > 1) continue;
- for (int i162 = 1; i162 <= nsph; i162++) {
- if (iog[i162 - 1] < i162) continue;
- nsh = nshl[i162 - 1];
- 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;
- int dc0_real_exp, dc0_img_exp;
- sscanf(file_lines[++last_read_line].c_str(), " (%8lf D%d, %8lf D%d)", &dc0_real, &dc0_real_exp, &dc0_img, &dc0_img_exp);
- dc0_real *= pow(10.0, dc0_real_exp);
- dc0_img *= pow(10.0, dc0_img_exp);
- dc0m[i157][i162 - 1][jxi468 - 1] = dc0_real + 1i * dc0_img;
- // 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.
- write_complex_(&uid, &dc0_real, &dc0_img);
- }
- }
- }
- close_file_(&uid);
- if (idfc != 0) {
- fprintf(output, " DIELECTRIC CONSTANTS\n");
- for (int i473 = 1; i473 <= nsph; i473++) {
- if (iog[i473 - 1] != i473) continue;
- ici = (nshl[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 = 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);
- }
- }
- } else {
- 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);
- return 0;
-}
-
-string *load_file(string file_name, int *count = 0) {
- fstream input_file(file_name.c_str(), ios::in);
- List<string> file_lines = List<string>();
- string line;
- if (input_file.is_open()) {
- getline(input_file, line);
- file_lines.set(0, line);
- while (getline(input_file, line)) {
- file_lines.append(line);
- }
- input_file.close();
- }
- string *array_lines = file_lines.to_array();
- if (count != 0) *count = file_lines.length();
- return array_lines;
-}
--
GitLab