Timestamp:
Jun 12, 2016, 8:48:21 AM (10 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Fix_BoundInBox_CenterInBox_MoleculeActions
Parents:
996ef1
git-author:
Frederik Heber <heber@…> (06/11/16 16:43:54)
git-committer:
Frederik Heber <heber@…> (06/12/16 08:48:21)
Message:

FIX: CenterInBox and BoundInBox are actions acting on molecules, not world.

  • just stumbled over this when realizing that center-in-box does not center all selected atoms within the box but each of the currently present molecules individually.
  • this is also changed to act only on selected molecules.
  • TEST: extended regression test to only test centering and bounding of some molecules (and not only all).
  • TESTFIX: needed to change regression tests on all molecules to prepend action with select-all-molecules.
  • Needed to renamed python action in boxmaker.py.in.
  • DOCU: Corrected description in userguide.
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