Improve integration between point and space group #12812
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added 4 commits
June 14, 2015 01:15
Updated docs and tests as well.
MichaelWedel
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All looks good and extensively tested and documented. Variations of the doc tests also seem to behave well locally. |
FedeMPouzols
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Jun 19, 2015
…oup_integration Improve integration between point and space group
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This fixes #12779.
The following changes have been made:
PointAndSpaceGroups-page) usage example has been implemented as a method in the SpaceGroup-class, exposed to Python.PointGroup-objects can be created directly fromSpaceGroup-objects, without going through the factory, this has also been exposed to Python.SpaceGroupFactoryreturns all space groups with a certain point group (exported to Python).Testing information
Code review. Check the additions to the documentation, a new usage example has been added to the
PointAndSpaceGroupsconcept page.