Changeset 25d9d9 for src/Actions/MoleculeAction/CenterInBoxAction.def

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.

File:

• src/Actions/MoleculeAction/CenterInBoxAction.def (moved) (moved from src/Actions/WorldAction/CenterInBoxAction.def ) (2 diffs)

src/Actions/MoleculeAction/CenterInBoxAction.def

@@ -28 +28 @@
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS
-#define CATEGORY World
-#define MENUNAME "world"
+#define CATEGORY Molecule
+#define MENUNAME "molecule"
 #define MENUPOSITION 3
 #define ACTIONNAME CenterInBox
@@ -36 +36 @@
 
 // finally the information stored in the ActionTrait specialization
-#define DESCRIPTION "center all atoms in the domain"
+#define DESCRIPTION "center each selected molecule in the domain"
 #define SHORTFORM "b"