Skip to content

Commit

Permalink
adapt validator
Browse files Browse the repository at this point in the history
  • Loading branch information
t-reents authored and mbercx committed May 10, 2023
1 parent 889951c commit 23c3c9d
Showing 1 changed file with 6 additions and 6 deletions.
12 changes: 6 additions & 6 deletions src/aiida_quantumespresso/workflows/pdos.py
Original file line number Diff line number Diff line change
Expand Up @@ -113,12 +113,12 @@ def validate_inputs(value, _):
if value['dos']['parameters']['DOS'].get(par, None) != value['projwfc']['parameters']['PROJWFC'].get(par, None):
return f'The `{par}`` parameter has to be equal for the `dos` and `projwfc` inputs.'

if value.get('fermi_energy_range', False):
if value.get('energy_range_vs_fermi', False):
for par in ['Emin', 'Emax']:
if value['dos']['parameters']['DOS'].get(par, None):
warnings.warn(
f'The `{par}` parameter and `fermi_energy_range` were specified.'
'The value in `fermi_energy_range` will be used.'
f'The `{par}` parameter and `energy_range_vs_fermi` were specified.'
'The value in `energy_range_vs_fermi` will be used.'
)


Expand Down Expand Up @@ -161,14 +161,14 @@ def validate_projwfc(value, _):


def validate_energy_range_vs_fermi(value, _):
"""Validate specified fermi_energy_range.
"""Validate specified energy_range_vs_fermi.
- List needs to consist of two float values.
"""
if len(value) != 2:
return f'`fermi_energy_range` should be a `List` of length two, but got: {value}'
return f'`energy_range_vs_fermi` should be a `List` of length two, but got: {value}'
if not all(isinstance(val, float) for val in value):
return f'`fermi_energy_range` should be a `List` of floats, but got: {value}'
return f'`energy_range_vs_fermi` should be a `List` of floats, but got: {value}'


def clean_calcjob_remote(node):
Expand Down

0 comments on commit 23c3c9d

Please sign in to comment.