Fix_BoundInBox_CenterInBox_MoleculeActions
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Last change
on this file since 25d9d9 was 25d9d9, checked in by Frederik Heber <heber@…>, 10 years ago |
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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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Property mode
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File size:
349 bytes
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| 1 | /*
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| 2 | * BoundInBoxAction.hpp
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| 3 | *
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| 4 | * Created on: May 8, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef BOUNDINBOXACTION_HPP_
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| 9 | #define BOUNDINBOXACTION_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| 17 | #include "Actions/Action.hpp"
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| 18 |
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| 19 | #include "BoundInBoxAction.def"
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| 20 | #include "Action_impl_header.hpp"
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| 21 |
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| 22 | #endif /* BOUNDINBOXACTION_HPP_ */
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