Skip to content

Commit

Permalink
Added a line to check geomnames (#195)
Browse files Browse the repository at this point in the history
* Added a line to check geomnames

* [pre-commit.ci] auto fixes from pre-commit hooks

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
  • Loading branch information
davut-m and pre-commit-ci[bot] committed Jan 24, 2024
1 parent 07dffb1 commit e8ee975
Showing 1 changed file with 2 additions and 0 deletions.
2 changes: 2 additions & 0 deletions molSimplify/Scripts/structgen.py
Original file line number Diff line number Diff line change
Expand Up @@ -266,6 +266,8 @@ def init_template(args, cpoints_required: int,
# check if geometry is defined and overwrite
if args.geometry in geomshorts:
geom = args.geometry
elif args.geometry in geomnames:
geom = geomshorts[geomnames.index(args.geometry)]
else:
emsg = "Requested geometry not available." + \
"Defaulting to "+geomgroups[coord-1][0]
Expand Down

0 comments on commit e8ee975

Please sign in to comment.