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refactor: use isinstance #58

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May 23, 2023
Merged

refactor: use isinstance #58

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16 changes: 8 additions & 8 deletions effmass/inputs.py
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Original file line number Diff line number Diff line change
Expand Up @@ -72,7 +72,7 @@ def check_settings(self):
assert (self.extrema_search_depth >
0), "The energy depth must be a positive number"
assert (
type(self.degree_bandfit) == int and self.degree_bandfit > 1
isinstance(self.degree_bandfit, int) and self.degree_bandfit > 1
), "The bandfit degree must be a positive integer greater than 1"

class Data():
Expand Down Expand Up @@ -131,10 +131,10 @@ def check_data(self, spin_channels, number_of_kpoints, number_of_bands, CBM,
((spin_channels == 1) | (spin_channels == 2) |
(spin_channels == 4)) is True
), "Spin channels must have value 1 (non spin-polarised) or 2 (spin-polarised)"
assert (type(number_of_kpoints) == int
assert (isinstance(number_of_kpoints, int)
and number_of_kpoints > 0
), "The number of kpoints is not a positive integer"
assert (type(number_of_bands) == int and number_of_bands > 0
assert (isinstance(number_of_bands, int) and number_of_bands > 0
), "The number of bands is not a positive integer"
assert (CBM >
VBM), "The CBM energy is lower than than the VBM energy"
Expand Down Expand Up @@ -340,8 +340,8 @@ def __init__(self, outcar_path, procar_path, ignore=0, **kwargs):

super().__init__()

assert (type(outcar_path) == str), "The OUTCAR path must be a string"
assert (type(ignore) == int and ignore >= 0
assert (isinstance(outcar_path, str)), "The OUTCAR path must be a string"
assert (isinstance(ignore, int) and ignore >= 0
), "The number of kpoints to ignore must be a positive integer"

reciprocal_lattice = outcar.reciprocal_lattice_from_outcar(outcar_path)
Expand Down Expand Up @@ -665,9 +665,9 @@ def __init__(self, bandstructure_path, info_path, results_path):

super().__init__()

assert (type(bandstructure_path) == str), "The bandStructure path must be a string"
assert (type(info_path) == str), "The info path must be a string"
assert (type(results_path) == str), "The results path must be a string"
assert (isinstance(bandstructure_path, str)), "The bandStructure path must be a string"
assert (isinstance(info_path, str)), "The info path must be a string"
assert (isinstance(results_path, str)), "The results path must be a string"

# load the Octopus data
band_struct = bandstructure.Bandstructure(bandstructure_path)
Expand Down