Fix bug in writing scale factor to binary

src/libnptm/Configuration.cpp

@@ -673,34 +673,6 @@ void ScattererConfiguration::write_binary(string file_name, string mode) {
   if (mode.compare("LEGACY") == 0) { // Legacy mode was chosen.
     fstream output;
     int ies = (use_external_sphere)? 1 : 0;
-    double *xi_vec;
-    if (reference_variable_name.compare("XIV") == 0) xi_vec = scale_vec;
-    else {
-      is_new_vector = true;
-      xi_vec = new double[number_of_scales];
-      if (reference_variable_name.compare("WNS") == 0) {
-	for (int i = 0; i < number_of_scales; i++)
-	  xi_vec[i] = 3.0e8 * scale_vec[i] / wp;
-      } else if (reference_variable_name.compare("WLS") == 0) {
-	for (int i = 0; i < number_of_scales; i++) {
-	  double wn = two_pi / scale_vec[i];
-	  xi_vec[i] = 3.0e8 * wn / wp;
-	}
-      } else if (reference_variable_name.compare("PUS") == 0) {
-	for (int i = 0; i < number_of_scales; i++)
-	  xi_vec[i] = scale_vec[i] / wp;
-      } else if (reference_variable_name.compare("EVS") == 0) {
-	for (int i = 0; i < number_of_scales; i++) {
-	  double pu = scale_vec[i] / evc;
-	  xi_vec[i] = pu / wp;
-	}
-      } else {
-	throw UnrecognizedConfigurationException(
-						 "Wrong parameter set: unrecognized scale type "
-						 + reference_variable_name
-						 );
-      }
-    }
     output.open(file_name.c_str(), ios::out | ios::binary);
     output.write(reinterpret_cast<char *>(&number_of_spheres), sizeof(int));
     for (int i = 0; i < number_of_spheres; i++)
@@ -711,7 +683,7 @@ void ScattererConfiguration::write_binary(string file_name, string mode) {
     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 *>(&(xi_vec[i])), sizeof(double));
+      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));
@@ -741,7 +713,6 @@ void ScattererConfiguration::write_binary(string file_name, string mode) {
 	}
       }
     }
-    if (is_new_vector) delete[] xi_vec;
     output.close();
   }
 }
@@ -790,10 +761,10 @@ void ScattererConfiguration::write_formatted(string file_name) {
     case 1:
       fprintf(output, "  JXI     WNS          WLS          PUS          EVS          XIV\n");
       for (int i = 0; i < number_of_scales; i++) {
-	wn_vec[i] = scale_vec[i];
-	wl_vec[i] = two_pi / wn_vec[i];
-	xi_vec[i] = 3.0e8 * wn_vec[i] / wp;
+	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];
 	ev_vec[i] = pu_vec[i] * evc;
 	fprintf(
 		output,
@@ -810,10 +781,10 @@ void ScattererConfiguration::write_formatted(string file_name) {
     case 2:
       fprintf(output, "  JXI     WLS          WNS          PUS          EVS          XIV\n");
       for (int i = 0; i < number_of_scales; i++) {
-	wl_vec[i] = scale_vec[i];
-	wn_vec[i] = two_pi / wl_vec[i];
-	xi_vec[i] = 3.0e8 * wn_vec[i] / wp;
+	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];
 	ev_vec[i] = pu_vec[i] * evc;
 	fprintf(
 		output,
@@ -830,8 +801,8 @@ void ScattererConfiguration::write_formatted(string file_name) {
     case 3:
       fprintf(output, "  JXI     PUS          WNS          WLS          EVS          XIV\n");
       for (int i = 0; i < number_of_scales; i++) {
-	pu_vec[i] = scale_vec[i];
-	xi_vec[i] = pu_vec[i] / wp;
+	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];
 	ev_vec[i] = pu_vec[i] * evc;
@@ -850,11 +821,11 @@ void ScattererConfiguration::write_formatted(string file_name) {
     case 4:
       fprintf(output, "  JXI     EVS          WNS          WLS          PUS          XIV\n");
       for (int i = 0; i < number_of_scales; i++) {
-	ev_vec[i] = scale_vec[i];
-	pu_vec[i] = ev_vec[i] / evc;
-	xi_vec[i] = pu_vec[i] / wp;
+	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];
+	ev_vec[i] = pu_vec[i] * evc;
 	fprintf(
 		output,
 		"%5d%13.4lE%13.4lE%13.4lE%13.4lE%13.4lE\n",