Skip to content

Commit

Permalink
Fix get_geometry_type default argument
Browse files Browse the repository at this point in the history
  • Loading branch information
ralf-meyer committed Feb 13, 2024
1 parent 5ad401e commit 650a222
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions molSimplify/Classes/mol3D.py
Original file line number Diff line number Diff line change
Expand Up @@ -5343,7 +5343,7 @@ def is_edge_compound(self, transition_metals_only=True):
num_edge_lig, info_edge_lig = 0, list()
return num_edge_lig, info_edge_lig

def get_geometry_type(self, dict_check=False, angle_ref=False, num_coord=False,
def get_geometry_type(self, dict_check=False, angle_ref=False, num_coord=None,
flag_catoms=False, catoms_arr=None, debug=False,
skip=False, transition_metals_only=False):
"""
Expand Down Expand Up @@ -5391,7 +5391,7 @@ def get_geometry_type(self, dict_check=False, angle_ref=False, num_coord=False,
else:
raise ValueError('No metal centers exist in this complex.')

if num_coord is False:
if num_coord is None:
# TODO: Implement the case where we don't know the coordination number.
raise NotImplementedError(
"Not implemented yet. Please at least provide the coordination number.")
Expand Down

0 comments on commit 650a222

Please sign in to comment.