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Code Issues Releases Wiki Activity

[py3] Use isinstance for proper type checking

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This commit is contained in:
Nils Wentzell 2020-04-08 15:55:39 -04:00
parent 484e10ef1f
commit 6d5e04f006
6 changed files with 10 additions and 13 deletions
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3
python/converters/hk_converter.py
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@ -53,8 +53,7 @@ class HkConverter(ConverterTools):
""" """
assert type( assert isinstance(filename, str), "HkConverter: filename must be a filename."
filename) == StringType, "HkConverter: filename must be a filename."
if hdf_filename is None: if hdf_filename is None:
hdf_filename = filename + '.h5' hdf_filename = filename + '.h5'
self.hdf_file = hdf_filename self.hdf_file = hdf_filename

2
python/converters/vasp_converter.py
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@ -75,7 +75,7 @@ class VaspConverter(ConverterTools):
""" """
assert type(filename)==StringType, "Please provide the DFT files' base name as a string." assert isinstance(filename, str), "Please provide the DFT files' base name as a string."
if hdf_filename is None: hdf_filename = filename+'.h5' if hdf_filename is None: hdf_filename = filename+'.h5'
self.hdf_file = hdf_filename self.hdf_file = hdf_filename
self.basename = filename self.basename = filename

2
python/converters/wannier90_converter.py
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@ -79,7 +79,7 @@ class Wannier90Converter(ConverterTools):
""" """
self._name = "Wannier90Converter" self._name = "Wannier90Converter"
assert type(seedname) == StringType, self._name + \ assert isinstance(seedname, str), self._name + \
": Please provide the DFT files' base name as a string." ": Please provide the DFT files' base name as a string."
if hdf_filename is None: if hdf_filename is None:
hdf_filename = seedname + '.h5' hdf_filename = seedname + '.h5'

3
python/converters/wien2k_converter.py
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@ -65,8 +65,7 @@ class Wien2kConverter(ConverterTools):
""" """
assert type( assert isinstance(filename, str), "Wien2kConverter: Please provide the DFT files' base name as a string."
filename) == StringType, "Wien2kConverter: Please provide the DFT files' base name as a string."
if hdf_filename is None: if hdf_filename is None:
hdf_filename = filename + '.h5' hdf_filename = filename + '.h5'
self.hdf_file = hdf_filename self.hdf_file = hdf_filename

4
python/sumk_dft.py
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@ -81,7 +81,7 @@ class SumkDFT(object):
Name of hdf5 subgroup in which miscellaneous DFT data are stored. Name of hdf5 subgroup in which miscellaneous DFT data are stored.
""" """
if not type(hdf_file) == StringType: if not isinstance(hdf_file, str):
mpi.report("Give a string for the hdf5 filename to read the input!") mpi.report("Give a string for the hdf5 filename to read the input!")
else: else:
self.hdf_file = hdf_file self.hdf_file = hdf_file
@ -1826,7 +1826,7 @@ class SumkDFT(object):
elif dm_type == 'vasp': elif dm_type == 'vasp':
filename = 'GAMMA' filename = 'GAMMA'
assert type(filename) == StringType, ("calc_density_correction: " assert isinstance(filename, str), ("calc_density_correction: "
"filename has to be a string!") "filename has to be a string!")
ntoi = self.spin_names_to_ind[self.SO] ntoi = self.spin_names_to_ind[self.SO]

9
python/symmetry.py
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@ -48,8 +48,7 @@ class Symmetry:
the data is stored at the root of the hdf5 archive. the data is stored at the root of the hdf5 archive.
""" """
assert type( assert isinstance(hdf_file, str), "Symmetry: hdf_file must be a filename."
hdf_file) == StringType, "Symmetry: hdf_file must be a filename."
self.hdf_file = hdf_file self.hdf_file = hdf_file
things_to_read = ['n_symm', 'n_atoms', 'perm', things_to_read = ['n_symm', 'n_atoms', 'perm',
'orbits', 'SO', 'SP', 'time_inv', 'mat', 'mat_tinv'] 'orbits', 'SO', 'SP', 'time_inv', 'mat', 'mat_tinv']
@ -118,7 +117,7 @@ class Symmetry:
# to be complex since self.mat is complex! # to be complex since self.mat is complex!
symm_obj = [copy.deepcopy(obj[i]) for i in range(len(obj))] symm_obj = [copy.deepcopy(obj[i]) for i in range(len(obj))]
for iorb in range(self.n_orbits): for iorb in range(self.n_orbits):
if type(symm_obj[iorb]) == DictType: if isinstance(symm_obj[iorb], dict):
for ii in symm_obj[iorb]: for ii in symm_obj[iorb]:
symm_obj[iorb][ii] *= 0.0 symm_obj[iorb][ii] *= 0.0
else: else:
@ -143,7 +142,7 @@ class Symmetry:
else: else:
if type(obj[iorb]) == DictType: if isinstance(obj[iorb], dict):
for ii in obj[iorb]: for ii in obj[iorb]:
if self.time_inv[i_symm] == 0: if self.time_inv[i_symm] == 0:
symm_obj[jorb][ii] += numpy.dot(numpy.dot(self.mat[i_symm][iorb], obj[iorb][ii]), symm_obj[jorb][ii] += numpy.dot(numpy.dot(self.mat[i_symm][iorb], obj[iorb][ii]),
@ -172,7 +171,7 @@ class Symmetry:
# symm_obj[iorb] /= 2.0 # symm_obj[iorb] /= 2.0
# #
# else: # else:
# if type(symm_obj[iorb]) == DictType: # if isinstance(symm_obj[iorb], dict):
# for ii in symm_obj[iorb]: # for ii in symm_obj[iorb]:
# symm_obj[iorb][ii] += numpy.dot(numpy.dot(self.mat_tinv[iorb],symm_obj[iorb][ii].conjugate()), # symm_obj[iorb][ii] += numpy.dot(numpy.dot(self.mat_tinv[iorb],symm_obj[iorb][ii].conjugate()),
# self.mat_tinv[iorb].transpose().conjugate()) # self.mat_tinv[iorb].transpose().conjugate())