Changeset 794482 for molecuilder/src/bondgraph.hpp

Timestamp:

Apr 1, 2010, 1:49:25 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

6250e5

Parents:

768125

git-author:

Frederik Heber <heber@…> (04/01/10 12:42:07)

git-committer:

Frederik Heber <heber@…> (04/01/10 13:49:25)

Message:

Moved functions CountBondsOfTwo(), CountBondsOfThree() and CountHydrogenBridgeBonds() from bondgraph.cpp to analysis_bonds.cpp

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

File:

• molecuilder/src/bondgraph.hpp (modified) (2 diffs)

molecuilder/src/bondgraph.hpp

@@ -23 +23 @@
 
 #define BONDTHRESHOLD 0.4   //!< CSD threshold in bond check which is the width of the interval whose center is the sum of the covalent radii
-#define HBRIDGEDISTANCE 3.5   //!< HBridge distance from PCCP Vol 10. 4802-4813
 
 /****************************************** forward declarations *****************************/
 
 class molecule;
-class MoleculeListClass;
 class periodentafel;
 class MatrixContainer;
@@ -55 +53 @@
 };
 
-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_ */