Skip to content

skpkg: new files #139

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
sbillinge merged 7 commits into from
Jun 19, 2025
Merged

skpkg: new files #139

Changes from 1 commit
Commits
Show all changes
7 commits
Select commit Hold shift + click to select a range
4b7b89c
skpkg: new files
TingwenZhang Jun 19, 2025
9d7972e
skpkg: docs
TingwenZhang Jun 19, 2025
04f6aa5
skpkg: codespell src/
TingwenZhang Jun 19, 2025
c787b24
skpkg: .github/
TingwenZhang Jun 19, 2025
4db5ce9
skpkg: readme
TingwenZhang Jun 19, 2025
b19f51a
skpkg: devutils docformatter
TingwenZhang Jun 19, 2025
c3a578a
skpkg: fixed CODE-OF-CONDUCT.rst
TingwenZhang Jun 19, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
Prev Previous commit
Next Next commit
skpkg: devutils docformatter
  • Loading branch information
@TingwenZhang
TingwenZhang committed Jun 19, 2025
commit b19f51ac36839bdd968df5e83cee901d296e2f7f
12 changes: 7 additions & 5 deletions devutils/sgtbx_extra_groups.py
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,10 +1,11 @@
#!/usr/bin/env python

"""Quick and extremely dirty script for generating code for SpaceGroup that
are defined in cctbx, but not in mmLib. It was used to generate module
sgtbxspacegroups.
"""Quick and extremely dirty script for generating code for SpaceGroup
that are defined in cctbx, but not in mmLib. It was used to generate
module sgtbxspacegroups.

This is a utility script that should not be included with code distribution.
This is a utility script that should not be included with code
distribution.

Not to be included with code distributions.
"""
Expand Down Expand Up @@ -40,7 +41,8 @@ def tupleToSGArray(tpl):


def mmSpaceGroupFromSymbol(symbol):
"""Construct SpaceGroup instance from a string symbol using sgtbx data."""
"""Construct SpaceGroup instance from a string symbol using sgtbx
data."""
sginfo = sgtbx.space_group_info(symbol)
symop_list = []
symop_list = getSymOpList(sginfo.group())
Expand Down