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Commit b4659d20 authored by Giovanni La Mura's avatar Giovanni La Mura
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Correct vector to matrix mapping when reading configuration data from HDF5

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src/libnptm/Configuration.cpp
+ 15
− 9
View file @ b4659d20
...@@ -475,9 +475,10 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam ...@@ -475,9 +475,10 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam
complex<double> ***dc0m = new complex<double>**[configurations]; complex<double> ***dc0m = new complex<double>**[configurations];
complex<double> *dc0 = new complex<double>[configurations](); complex<double> *dc0 = new complex<double>[configurations]();
int dim3 = (_idfc == 0) ? nxi : 1;
for (int di = 0; di < configurations; di++) { for (int di = 0; di < configurations; di++) {
dc0m[di] = new complex<double>*[nsph]; dc0m[di] = new complex<double>*[nsph];
for (int dj = 0; dj < nsph; dj++) dc0m[di][dj] = new complex<double>[nxi](); for (int dj = 0; dj < nsph; dj++) dc0m[di][dj] = new complex<double>[dim3]();
} // di loop } // di loop
for (int jxi468 = 1; jxi468 <= nxi; jxi468++) { for (int jxi468 = 1; jxi468 <= nxi; jxi468++) {
if (_idfc != 0 && jxi468 > 1) continue; // jxi468 loop if (_idfc != 0 && jxi468 > 1) continue; // jxi468 loop
...@@ -574,7 +575,7 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(string file_name) { ...@@ -574,7 +575,7 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(string file_name) {
str_type = "FLOAT64_(" + to_string(nsh) + ")"; str_type = "FLOAT64_(" + to_string(nsh) + ")";
status = hdf_file->read(str_name, str_type, (rcf_vector[i115 - 1])); status = hdf_file->read(str_name, str_type, (rcf_vector[i115 - 1]));
} }
xi_vec = new double[nxi]; xi_vec = new double[nxi]();
str_name = "XIVEC"; str_name = "XIVEC";
str_type = "FLOAT64_(" + to_string(nxi) + ")"; str_type = "FLOAT64_(" + to_string(nxi) + ")";
status = hdf_file->read(str_name, str_type, xi_vec); status = hdf_file->read(str_name, str_type, xi_vec);
...@@ -586,13 +587,15 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(string file_name) { ...@@ -586,13 +587,15 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(string file_name) {
str_type = "FLOAT64_(" + to_string(element_size) + ")"; str_type = "FLOAT64_(" + to_string(element_size) + ")";
status = hdf_file->read(str_name, str_type, elements); status = hdf_file->read(str_name, str_type, elements);
dc0m = new complex<double>**[configuration_count]; dc0m = new complex<double>**[configuration_count];
int dc_index = 0;
for (int di = 0; di < configuration_count; di++) { for (int di = 0; di < configuration_count; di++) {
dc0m[di] = new complex<double>*[nsph]; dc0m[di] = new complex<double>*[nsph];
for (int dj = 0; dj < nsph; dj++) { for (int dj = 0; dj < nsph; dj++) {
dc0m[di][dj] = new complex<double>[dim3](); dc0m[di][dj] = new complex<double>[dim3]();
for (int dk = 0; dk < dim3; dk++) { for (int dk = 0; dk < dim3; dk++) {
double rval = elements[(di * nsph) + (dj * dim3) + 2 * dk]; double rval = elements[2 * dc_index];
double ival = elements[(di * nsph) + (dj * dim3) + 2 * dk + 1]; double ival = elements[2 * dc_index + 1];
dc_index++;
dc0m[di][dj][dk] = complex<double>(rval, ival); dc0m[di][dj][dk] = complex<double>(rval, ival);
} }
} // dj loop } // dj loop
...@@ -665,9 +668,10 @@ ScattererConfiguration* ScattererConfiguration::from_legacy(string file_name) { ...@@ -665,9 +668,10 @@ ScattererConfiguration* ScattererConfiguration::from_legacy(string file_name) {
input.read(reinterpret_cast<char *>(&(_rcf_vec[i115 - 1][nsi])), sizeof(double)); input.read(reinterpret_cast<char *>(&(_rcf_vec[i115 - 1][nsi])), sizeof(double));
} }
_dc0m = new complex<double>**[configurations]; _dc0m = new complex<double>**[configurations];
int dim3 = (_idfc == 0) ? _nxi : 1;
for (int di = 0; di < configurations; di++) { for (int di = 0; di < configurations; di++) {
_dc0m[di] = new complex<double>*[_nsph]; _dc0m[di] = new complex<double>*[_nsph];
for (int dj = 0; dj < _nsph; dj++) _dc0m[di][dj] = new complex<double>[_nxi](); for (int dj = 0; dj < _nsph; dj++) _dc0m[di][dj] = new complex<double>[dim3]();
} // di loop } // di loop
for (int jxi468 = 1; jxi468 <= _nxi; jxi468++) { for (int jxi468 = 1; jxi468 <= _nxi; jxi468++) {
if (_idfc != 0 && jxi468 > 1) continue; if (_idfc != 0 && jxi468 > 1) continue;
...@@ -822,7 +826,7 @@ void ScattererConfiguration::write_hdf5(string file_name) { ...@@ -822,7 +826,7 @@ void ScattererConfiguration::write_hdf5(string file_name) {
int dim3 = (idfc == 0) ? number_of_scales : 1; int dim3 = (idfc == 0) ? number_of_scales : 1;
int dc0m_size = 2 * dim3 * number_of_spheres * configurations; int dc0m_size = 2 * dim3 * number_of_spheres * configurations;
double *dc0m = new double[dc0m_size]; double *dc0m = new double[dc0m_size]();
int dc0_index = 0; int dc0_index = 0;
for (int jxi468 = 1; jxi468 <= number_of_scales; jxi468++) { for (int jxi468 = 1; jxi468 <= number_of_scales; jxi468++) {
if (idfc != 0 && jxi468 > 1) continue; if (idfc != 0 && jxi468 > 1) continue;
...@@ -835,8 +839,9 @@ void ScattererConfiguration::write_hdf5(string file_name) { ...@@ -835,8 +839,9 @@ void ScattererConfiguration::write_hdf5(string file_name) {
double dc0_real, dc0_imag; double dc0_real, dc0_imag;
dc0_real = dc0_matrix[i157][i162 - 1][jxi468 - 1].real(); dc0_real = dc0_matrix[i157][i162 - 1][jxi468 - 1].real();
dc0_imag = dc0_matrix[i157][i162 - 1][jxi468 - 1].imag(); dc0_imag = dc0_matrix[i157][i162 - 1][jxi468 - 1].imag();
dc0m[dc0_index++] = dc0_real; dc0m[2 * dc0_index] = dc0_real;
dc0m[dc0_index++] = dc0_imag; dc0m[2 * dc0_index + 1] = dc0_imag;
dc0_index++;
} }
} }
} }
...@@ -1109,6 +1114,7 @@ bool ScattererConfiguration::operator ==(ScattererConfiguration &other) { ...@@ -1109,6 +1114,7 @@ bool ScattererConfiguration::operator ==(ScattererConfiguration &other) {
return false; return false;
} }
int dj_index = 0; int dj_index = 0;
int dim3 = (idfc == 0) ? number_of_scales : 1;
for (int dj = 0; dj < number_of_spheres; dj++) { for (int dj = 0; dj < number_of_spheres; dj++) {
bool check_matrixes = false; bool check_matrixes = false;
if (iog_vec[dj] >= dj + 1) { if (iog_vec[dj] >= dj + 1) {
...@@ -1130,7 +1136,7 @@ bool ScattererConfiguration::operator ==(ScattererConfiguration &other) { ...@@ -1130,7 +1136,7 @@ bool ScattererConfiguration::operator ==(ScattererConfiguration &other) {
if (rcf[dj_index][di] != other.rcf[dj_index][di]) { if (rcf[dj_index][di] != other.rcf[dj_index][di]) {
return false; return false;
} }
for (int dk = 0; dk < number_of_scales; dk++) { for (int dk = 0; dk < dim3; dk++) {
if (dc0_matrix[di][dj_index][dk] != other.dc0_matrix[di][dj_index][dk]) { if (dc0_matrix[di][dj_index][dk] != other.dc0_matrix[di][dj_index][dk]) {
return false; return false;
} }
......
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