Complete HDF5 I/O implementation and add comparison operator

src/include/tfrfme.h

@@ -225,5 +225,14 @@ class TFRFME {
    * or "LGEACY". Default is "LEGACY").
    */
   void write_binary(std::string file_name, std::string mode="LEGACY");
+  
+  /*! \brief Test whether two instances of configuration are equal.
+   *
+   * \param other: `TFRFME &` Reference to the instance to be compared
+   * with.
+   * \return result: `bool` True, if the two instances are equal,
+   * false otherwise.
+   */
+  bool operator ==(TFRFME &other);
 };
 #endif

src/libnptm/tfrfme.cpp

@@ -75,6 +75,10 @@ TFRFME* TFRFME::from_hdf5(string file_name) {
   unsigned int flags = H5F_ACC_RDONLY;
   HDFFile *hdf_file = new HDFFile(file_name, flags);
   herr_t status = hdf_file->get_status();
+  double *coord_vec, *elements;
+  string str_type;
+  int _nlmmt, _nrvc, num_elements;
+  complex<double> value;
   if (status == 0) {
     int lmode, lm, nkv, nxv, nyv, nzv;
     double vk, exri, an, ff, tra, spd, frsh, exril;
@@ -101,7 +105,42 @@ TFRFME* TFRFME::from_hdf5(string file_name) {
     instance->set_param("spd", spd);
     instance->set_param("frsh", frsh);
     instance->set_param("exril", exril);
-    // DA QUI: aggiungere lettura di vettori e matrice.
+    // Vectors and matrix need to be copied element-wise and
+    // subsequently deleted.
+    coord_vec = new double[nxv]();
+    str_type = "FLOAT64_(" + to_string(nxv) + ")";
+    status = hdf_file->read("XVEC", str_type, coord_vec);
+    for (int xi = 0; xi < nxv; xi++)
+      instance->set_x(xi, coord_vec[xi]);
+    delete[] coord_vec;
+    coord_vec = new double[nyv]();
+    str_type = "FLOAT64_(" + to_string(nyv) + ")";
+    status = hdf_file->read("YVEC", str_type, coord_vec);
+    for (int yi = 0; yi < nyv; yi++)
+      instance->set_y(yi, coord_vec[yi]);
+    delete[] coord_vec;
+    coord_vec = new double[nzv]();
+    str_type = "FLOAT64_(" + to_string(nzv) + ")";
+    status = hdf_file->read("ZVEC", str_type, coord_vec);
+    for (int zi = 0; zi < nzv; zi++)
+      instance->set_z(zi, coord_vec[zi]);
+    delete[] coord_vec;
+    _nlmmt = 2 * lm * (lm + 2);
+    _nrvc = nxv * nyv * nzv;
+    num_elements = 2 * _nlmmt * _nrvc;
+    elements = new double[num_elements]();
+    str_type = "FLOAT64_(" + to_string(num_elements) + ")";
+    status = hdf_file->read("WSUM", str_type, elements);
+    for (int wi = 0; wi < _nlmmt; wi++) {
+      for (int wj = 0; wj < _nrvc; wj++) {
+	int index = (2 * _nrvc) * wi + 2 * wj;
+	value = complex<double>(elements[index], elements[index + 1]);
+	instance->set_matrix_element(wi, wj, value);
+      } // wj loop
+    } // wi loop
+    delete[] elements;
+    status = hdf_file->close();
+    delete hdf_file;
   }
   return instance;
 }
@@ -222,6 +261,7 @@ void TFRFME::write_hdf5(string file_name) {
   List<string> rec_name_list(1);
   List<string> rec_type_list(1);
   List<void *> rec_ptr_list(1);
+  herr_t status;
   string str_type;
   rec_name_list.set(0, "LMODE");
   rec_type_list.set(0, "INT32_(1)");
@@ -283,7 +323,7 @@ void TFRFME::write_hdf5(string file_name) {
   // The (N x M) matrix of complex is converted to a (N x 2M) matrix of double,
   // where REAL(E_i,j) -> E_i,(2 j) and IMAG(E_i,j) -> E_i,(2 j + 1)
   int num_elements = 2 * nlmmt * nrvc;
-  double * ptr_elements = new double[num_elements]();
+  double *ptr_elements = new double[num_elements]();
   for (int wi = 0; wi < nlmmt; wi++) {
     for (int wj = 0; wj < nrvc; wj++) {
       int index = (2 * nrvc) * wi + 2 * wj;
@@ -300,8 +340,8 @@ void TFRFME::write_hdf5(string file_name) {
   FileSchema schema(rec_num, rec_types, rec_names);
   HDFFile *hdf_file = HDFFile::from_schema(schema, file_name, H5F_ACC_TRUNC);
   for (int ri = 0; ri < rec_num; ri++)
-    hdf_file->write(rec_names[ri], rec_types[ri], rec_pointers[ri]);
-  hdf_file->close();
+    status = hdf_file->write(rec_names[ri], rec_types[ri], rec_pointers[ri]);
+  status = hdf_file->close();
 
   delete[] ptr_elements;
   delete[] rec_names;
@@ -346,3 +386,71 @@ void TFRFME::write_legacy(string file_name) {
     printf("ERROR: could not open output file \"%s\"\n", file_name.c_str());
   }
 }
+
+bool TFRFME::operator ==(TFRFME &other) {
+  if (lmode != other.lmode) {
+    return false;
+  }
+  if (lm != other.lm) {
+    return false;
+  }
+  if (nkv != other.nkv) {
+    return false;
+  }
+  if (nxv != other.nxv) {
+    return false;
+  }
+  if (nyv != other.nyv) {
+    return false;
+  }
+  if (nzv != other.nzv) {
+    return false;
+  }
+  if (vk != other.vk) {
+    return false;
+  }
+  if (exri != other.exri) {
+    return false;
+  }
+  if (an != other.an) {
+    return false;
+  }
+  if (ff != other.ff) {
+    return false;
+  }
+  if (tra != other.tra) {
+    return false;
+  }
+  if (spd != other.spd) {
+    return false;
+  }
+  if (frsh != other.frsh) {
+    return false;
+  }
+  if (exril != other.exril) {
+    return false;
+  }
+  for (int xi = 0; xi < nxv; xi++) {
+    if (xv[xi] != other.xv[xi]) {
+      return false;
+    }
+  }
+  for (int yi = 0; yi < nyv; yi++) {
+    if (yv[yi] != other.yv[yi]) {
+      return false;
+    }
+  }
+  for (int zi = 0; zi < nzv; zi++) {
+    if (zv[zi] != other.zv[zi]) {
+      return false;
+    }
+  }
+  for (int wi = 0; wi < nlmmt; wi++) {
+    for (int wj = 0; wj < nrvc; wj++) {
+      if (wsum[wi][wj] != other.wsum[wi][wj]) {
+	return false;
+      }
+    } // wj loop
+  } // wi loop
+  return true;
+}