Changeset bee48d for molecuilder/src/molecule.hpp

Timestamp:

Oct 17, 2009, 5:06:42 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

aec775

Parents:

d70bf6

Message:

Renamed and rewritten CreateAdjacencyList2().

• rename CreateAdjacencyList2() -> CreateAdjacencyListFromDbondFile()
• initially written by Christian Neuen who was at that time not familiar with all the functions already present. The code is now shortened and tighter.

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

File:

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

molecuilder/src/molecule.hpp

@@ -245 +245 @@
 
   /// Initialising routines in fragmentation
-  void CreateAdjacencyList2(ofstream *out, ifstream *output);
+  void CreateAdjacencyListFromDbondFile(ofstream *out, ifstream *output);
   void CreateAdjacencyList(ofstream *out, double bonddistance, bool IsAngstroem);
   void CreateListOfBondsPerAtom(ofstream *out);