Changeset c1b76e for molecuilder/src/molecule.hpp

Timestamp:

Nov 4, 2009, 3:08:11 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

20895b

Parents:

e1900f

Message:

config::Load() refactored: Dissection into connected subgraphs -> MoleculeListClass::DissectMoleculeIntoConnectedSubgraphs()

• new function MoleculeListClass::DissectMoleculeIntoConnectedSubgraphs()
• called in config::Load()

File:

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

molecuilder/src/molecule.hpp

@@ -321 +321 @@
   void Enumerate(ofstream *out);
   void Output(ofstream *out);
+  void DissectMoleculeIntoConnectedSubgraphs(ofstream * const out, molecule * const mol, config * const configuration);
 
   // merging of molecules