Abins force-constant import: minor cleanup

- Remove commented method, used as reference while implementing
- Refactor for-loop into dict comprehension

scripts/abins/input/euphonicloader.py

@@ -58,98 +58,8 @@ def read_vibrational_or_phonon_data(self):
                      'atoms': atoms}
 
         # save stuff to hdf file
-        data_to_save = ["frequencies", "weights", "k_vectors", "atomic_displacements", "unit_cell", "atoms"]
-        data = {}
-        for key in data_to_save:
-            data[key] = file_data[key]
+        save_keys = ["frequencies", "weights", "k_vectors", "atomic_displacements", "unit_cell", "atoms"]
+        data_to_save = {key: file_data[key] for key in save_keys}
+        self.save_ab_initio_data(data=data_to_save)
 
-        self.save_ab_initio_data(data=data)
         return self._rearrange_data(data=file_data)
-
-        # @abstractmethod
-        # def read_vibrational_or_phonon_data(self):
-        """
-        This method is different for different ab initio programs. It has to be overridden by inheriting class.
-        This method reads vibrational or phonon data produced by an ab initio program.
-        This method should do the following:
-
-          1) Open file with vibrational or phonon data (CASTEP: foo.phonon). Name of a file is
-             accessed via self._clerk.get_input_filename(). There must be no spaces in the name of a
-             file. Extension of a file (part of a name after '.') is arbitrary.
-
-          2) Method should read from an ab initio file information about frequencies, atomic displacements,
-          k-point vectors, weights of k-points and ions.
-
-          3) Method should reconstruct data for symmetry equivalent k-points
-             (protected method _recover_symmetry_points).
-
-             **Notice: this step is not implemented now. At the moment only Gamma point calculations are supported.**
-
-          4) Method should determine symmetry equivalent atoms
-
-              **Notice: this step is not implemented now.**
-
-          5) Method should calculate hash of a file with vibrational or phonon data (protected method _calculateHash).
-
-          6) Method should store vibrational or phonon data in an hdf file (using inherited method
-             save_ab_initio_data()). The name of an hdf file is foo.hdf5 (CASTEP: foo.phonon -> foo.hdf5). In order to
-             save the data to hdf file the following fields should be set:
-
-                    self._hdf_filename
-                    self._group_name
-                    self._attributes
-                    self._datasets
-
-              The datasets should be a dictionary with the following entries:
-
-                        "frequencies"  - frequencies for all k-points grouped in one numpy.array in cm^-1
-
-                        "weights"      - weights of all k-points in one numpy.array
-
-                        "k_vectors"    - all k-points in one numpy array
-
-                                         **Notice: both symmetry equivalent and inequivalent points should be stored; at
-                                          the moment only Gamma point calculations are supported**
-
-                        "atomic_displacements" - atomic displacements for all atoms and all k-points in one numpy array
-                                                 indexed: (kpt, atom, mode, direction)
-
-                        "unit_cell"      -   numpy array with unit cell vectors in Angstroms
-
-              The following structured datasets should be also defined:
-
-                        "atoms"          - Python dictionary with the information about ions. Each entry in the
-                                           dictionary has the following format 'atom_n'. Here n means number of
-                                           atom in the unit cell.
-
-                                           Each entry 'atom_n' in the  dictionary is a dictionary with the following
-                                           entries:
-
-                                               "symbol" - chemical symbol of the element (for example hydrogen -> H)
-
-                                               "sort"   - defines symmetry equivalent atoms, e.g, atoms with the same
-                                                          sort are symmetry equivalent
-
-                                                          **Notice at the moment this parameter is not functional
-                                                            in LoadCastep**
-
-                                               "coord" - equilibrium position of atom in Angstroms;
-                                                         it has a form of numpy array with three floats
-
-                                               "mass" - mass of atom
-
-              The attributes should be a dictionary with the following entries:
-
-                        "hash"  - hash of a file with the vibrational or phonon data. It should be a string
-                                  representation of hash.
-
-                        "ab_initio_program" - name of the ab initio program which was used to obtain vibrational or
-                                              phonon data (for CASTEP -> CASTEP).
-
-                        "filename" - name of input ab initio file
-
-          For more details about these fields please look at the documentation of abins.IO class.
-
-        :returns: Method should return an object of type AbinsData.
-
-        """