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pylinting #2
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jrudz committed Nov 3, 2023
1 parent 47bfce5 commit 577563c
Showing 1 changed file with 1 addition and 4 deletions.
5 changes: 1 addition & 4 deletions nomad/atomutils.py
Original file line number Diff line number Diff line change
Expand Up @@ -53,7 +53,6 @@
from nomad.constants import atomic_masses
from nomad.units import ureg
from nomad.metainfo import MSection
from nomad.utils import extract_section


valid_elements = set(ase.data.chemical_symbols[1:])
Expand Down Expand Up @@ -1147,8 +1146,6 @@ def archive_to_universe(archive, system_index: int = 0, method_index: int = -1,
sec_atoms_group = sec_system_top.atoms_group
sec_calculation = sec_run.calculation
sec_method = sec_run.method[method_index] if sec_run.get('method') is not None else None
sec_force_field = sec_method.force_field if sec_method is not None else None
sec_model = sec_force_field.model[model_index] if sec_force_field is not None else None
except IndexError:
logging.warning('Supplied indices or necessary sections do not exist in archive. Cannot build the MDA universe.')
return None
Expand Down Expand Up @@ -1793,7 +1790,7 @@ def calc_molecular_radius_of_gyration(universe: MDAnalysis.Universe, system_topo
return rg_results


def get_molecules_from_bond_list(n_particles: int, bond_list: List[tuple], particle_types: List[str] = None, particles_typeid: array[int] = None) -> List[Dict]:
def get_molecules_from_bond_list(n_particles: int, bond_list: List[tuple], particle_types: List[str] = None, particles_typeid: array = None) -> List[Dict]:
'''
Returns a list of dictionaries with molecule info from each instance in the list of bonds.
'''
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