Changeset c30959 for src/Actions/BondAction/BondAddAction.def

Timestamp:

Apr 23, 2021, 8:51:43 PM (5 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

f01bb3

Parents:

e70818

git-author:

Frederik Heber <frederik.heber@…> (11/17/20 22:25:47)

git-committer:

Frederik Heber <frederik.heber@…> (04/23/21 20:51:43)

Message:

BondAddAction also adds to molecule.

• NOTE: This basically does nothing as new atoms (AddAtom action) always get a dummy molecule. However, removing them from the dummy molecule and readding one is quite complicated.
• if we add bonds between new atoms (without a molecule set) to and atoms belonging all to the same molecule, then we automatically add the new atoms to this molecule as well. This saves the need for any GraphUpdateMolecules() call afterwards.
• also implemented undo and redo for this.

File:

• src/Actions/BondAction/BondAddAction.def (modified) (2 diffs)

src/Actions/BondAction/BondAddAction.def

@@ -12 +12 @@
 
 typedef std::vector<std::pair<atomId_t,atomId_t> > bondPairIds_t;
+typedef std::vector<const molecule*> molecules_t;
 
 #include "Parameters/Validators/RangeValidator.hpp"
@@ -27 +28 @@
 (RangeValidator<int>(1,10))
 
-#define statetypes (bondPairIds_t)
-#define statereferences (bondPairIds)
+#define statetypes (bondPairIds_t)(molecules_t)(molecule *)
+#define statereferences (bondPairIds)(molecules)(add_to_mol)
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS