Changeset 7e4dc3f for molecuilder/src/bondgraph.hpp

Timestamp:

Mar 19, 2010, 3:42:58 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Children:

32526c

Parents:

ac86192

git-author:

Frederik Heber <heber@…> (03/19/10 14:03:54)

git-committer:

Frederik Heber <heber@…> (03/19/10 15:42:58)

Message:

Implemented counting of bonds over all atoms.

• new functions in bondgraph.cpp: CountBondsOfTwo(), CountBondsOfThree()
• both are introduced into MergeMolecules(), case 'b' and 'B'

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/bondgraph.hpp (modified) (1 diff)

molecuilder/src/bondgraph.hpp

@@ -56 +56 @@
 
 int CountHydrogenBridgeBonds(MoleculeListClass * const molecules, element * InterfaceElement);
+int CountBondsOfTwo(MoleculeListClass * const molecules, const element * const first, const element * const second);
+int CountBondsOfThree(MoleculeListClass * const molecules, const element * const first, const element * const second, const element * const third);
 
 #endif /* BONDGRAPH_HPP_ */