Changeset 7b80a5 for molecuilder/src

Timestamp:

May 8, 2008, 12:45:25 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

08fd83

Parents:

255d13

Message:

new functions MoleculeLeafClass::Count() and MoleculeLeafClass::FillRootStackForSubgraphs()

Count: counts leaves in chain list
FillRootStackForSubgraphs: fills root stack array from atom's in each fragment/subgraph

File:

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

molecuilder/src/molecules.hpp

@@ -410 +410 @@
   bool AddLeaf(molecule *ptr, MoleculeLeafClass *Previous);
   bool FillBondStructureFromReference(ofstream *out, molecule *reference, int &FragmentCounter, atom ***&ListOfLocalAtoms, bool FreeList = false);
+  bool FillRootStackForSubgraphs(ofstream *out, KeyStack *&RootStack, int Order, int &FragmentCounter);
+  int Count();
 };