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https://github.com/triqs/dft_tools
synced 2024-12-22 20:34:38 +01:00
[py3] Use isinstance for proper type checking
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@ -53,8 +53,7 @@ class HkConverter(ConverterTools):
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"""
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assert type(
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filename) == StringType, "HkConverter: filename must be a filename."
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assert isinstance(filename, str), "HkConverter: filename must be a filename."
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if hdf_filename is None:
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hdf_filename = filename + '.h5'
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self.hdf_file = hdf_filename
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@ -75,7 +75,7 @@ class VaspConverter(ConverterTools):
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"""
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assert type(filename)==StringType, "Please provide the DFT files' base name as a string."
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assert isinstance(filename, str), "Please provide the DFT files' base name as a string."
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if hdf_filename is None: hdf_filename = filename+'.h5'
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self.hdf_file = hdf_filename
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self.basename = filename
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@ -79,7 +79,7 @@ class Wannier90Converter(ConverterTools):
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"""
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self._name = "Wannier90Converter"
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assert type(seedname) == StringType, self._name + \
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assert isinstance(seedname, str), self._name + \
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": Please provide the DFT files' base name as a string."
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if hdf_filename is None:
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hdf_filename = seedname + '.h5'
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@ -65,8 +65,7 @@ class Wien2kConverter(ConverterTools):
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"""
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assert type(
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filename) == StringType, "Wien2kConverter: Please provide the DFT files' base name as a string."
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assert isinstance(filename, str), "Wien2kConverter: Please provide the DFT files' base name as a string."
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if hdf_filename is None:
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hdf_filename = filename + '.h5'
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self.hdf_file = hdf_filename
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@ -81,7 +81,7 @@ class SumkDFT(object):
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Name of hdf5 subgroup in which miscellaneous DFT data are stored.
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"""
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if not type(hdf_file) == StringType:
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if not isinstance(hdf_file, str):
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mpi.report("Give a string for the hdf5 filename to read the input!")
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else:
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self.hdf_file = hdf_file
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@ -1826,7 +1826,7 @@ class SumkDFT(object):
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elif dm_type == 'vasp':
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filename = 'GAMMA'
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assert type(filename) == StringType, ("calc_density_correction: "
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assert isinstance(filename, str), ("calc_density_correction: "
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"filename has to be a string!")
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ntoi = self.spin_names_to_ind[self.SO]
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@ -48,8 +48,7 @@ class Symmetry:
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the data is stored at the root of the hdf5 archive.
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"""
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assert type(
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hdf_file) == StringType, "Symmetry: hdf_file must be a filename."
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assert isinstance(hdf_file, str), "Symmetry: hdf_file must be a filename."
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self.hdf_file = hdf_file
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things_to_read = ['n_symm', 'n_atoms', 'perm',
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'orbits', 'SO', 'SP', 'time_inv', 'mat', 'mat_tinv']
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@ -118,7 +117,7 @@ class Symmetry:
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# to be complex since self.mat is complex!
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symm_obj = [copy.deepcopy(obj[i]) for i in range(len(obj))]
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for iorb in range(self.n_orbits):
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if type(symm_obj[iorb]) == DictType:
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if isinstance(symm_obj[iorb], dict):
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for ii in symm_obj[iorb]:
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symm_obj[iorb][ii] *= 0.0
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else:
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@ -143,7 +142,7 @@ class Symmetry:
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else:
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if type(obj[iorb]) == DictType:
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if isinstance(obj[iorb], dict):
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for ii in obj[iorb]:
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if self.time_inv[i_symm] == 0:
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symm_obj[jorb][ii] += numpy.dot(numpy.dot(self.mat[i_symm][iorb], obj[iorb][ii]),
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@ -172,7 +171,7 @@ class Symmetry:
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# symm_obj[iorb] /= 2.0
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#
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# else:
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# if type(symm_obj[iorb]) == DictType:
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# if isinstance(symm_obj[iorb], dict):
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# for ii in symm_obj[iorb]:
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# symm_obj[iorb][ii] += numpy.dot(numpy.dot(self.mat_tinv[iorb],symm_obj[iorb][ii].conjugate()),
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# self.mat_tinv[iorb].transpose().conjugate())
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