Commit b4659d20 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Correct vector to matrix mapping when reading configuration data from HDF5

parent 99881898

src/libnptm/Configuration.cpp

+15 −9
Original line number Diff line number Diff line
@@ -475,9 +475,10 @@ ScattererConfiguration* ScattererConfiguration::from_dedfb(string dedfb_file_nam 


  complex<double> ***dc0m = new complex<double>**[configurations];

  complex<double> *dc0 = new complex<double>[configurations]();

  int dim3 = (_idfc == 0) ? nxi : 1;

  for (int di = 0; di < configurations; di++) {

    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

  for (int jxi468 = 1; jxi468 <= nxi; jxi468++) {

    if (_idfc != 0 && jxi468 > 1) continue; // jxi468 loop
@@ -574,7 +575,7 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(string file_name) { 
      str_type = "FLOAT64_(" + to_string(nsh) + ")";

      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_type = "FLOAT64_(" + to_string(nxi) + ")";

    status = hdf_file->read(str_name, str_type, xi_vec);
@@ -586,13 +587,15 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(string file_name) { 
    str_type = "FLOAT64_(" + to_string(element_size) + ")";

    status = hdf_file->read(str_name, str_type, elements);

    dc0m = new complex<double>**[configuration_count];

    int dc_index = 0;

    for (int di = 0; di < configuration_count; di++) {

      dc0m[di] = new complex<double>*[nsph];

      for (int dj = 0; dj < nsph; dj++) {

	dc0m[di][dj] = new complex<double>[dim3]();

	for (int dk = 0; dk < dim3; dk++) {

	  double rval = elements[(di * nsph) + (dj * dim3) + 2 * dk];

	  double ival = elements[(di * nsph) + (dj * dim3) + 2 * dk + 1];

	  double rval = elements[2 * dc_index];

	  double ival = elements[2 * dc_index + 1];

	  dc_index++;

	  dc0m[di][dj][dk] = complex<double>(rval, ival);

	}

      } // dj loop
@@ -665,9 +668,10 @@ ScattererConfiguration* ScattererConfiguration::from_legacy(string file_name) { 
      input.read(reinterpret_cast<char *>(&(_rcf_vec[i115 - 1][nsi])), sizeof(double));

  }

  _dc0m = new complex<double>**[configurations];

  int dim3 = (_idfc == 0) ? _nxi : 1;

  for (int di = 0; di < configurations; di++) {

    _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

  for (int jxi468 = 1; jxi468 <= _nxi; jxi468++) {

    if (_idfc != 0 && jxi468 > 1) continue;
@@ -822,7 +826,7 @@ void ScattererConfiguration::write_hdf5(string file_name) { 


  int dim3 = (idfc == 0) ? number_of_scales : 1;

  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;

  for (int jxi468 = 1; jxi468 <= number_of_scales; jxi468++) {

    if (idfc != 0 && jxi468 > 1) continue;
@@ -835,8 +839,9 @@ void ScattererConfiguration::write_hdf5(string file_name) { 
	double dc0_real, dc0_imag;

	dc0_real = dc0_matrix[i157][i162 - 1][jxi468 - 1].real();

	dc0_imag = dc0_matrix[i157][i162 - 1][jxi468 - 1].imag();

	dc0m[dc0_index++] = dc0_real;

	dc0m[dc0_index++] = dc0_imag;

	dc0m[2 * dc0_index] = dc0_real;

	dc0m[2 * dc0_index + 1] = dc0_imag;

	dc0_index++;

      }

    }

  }
@@ -1109,6 +1114,7 @@ bool ScattererConfiguration::operator ==(ScattererConfiguration &other) { 
      return false;

    }

  int dj_index = 0;

  int dim3 = (idfc == 0) ? number_of_scales : 1;

  for (int dj = 0; dj < number_of_spheres; dj++) {

    bool check_matrixes = false;

    if (iog_vec[dj] >= dj + 1) {
@@ -1130,7 +1136,7 @@ bool ScattererConfiguration::operator ==(ScattererConfiguration &other) { 
	if (rcf[dj_index][di] != other.rcf[dj_index][di]) {

	  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]) {

	    return false;

	  }