Changes in src/molecule.hpp [5b6a4b7:3aa8a5]

File:

• src/molecule.hpp (modified) (2 diffs)

src/molecule.hpp

@@ -47 +47 @@
 class Graph;
 class LinkedCell_deprecated;
+class ListOfLocalAtoms_t;
 class molecule;
 class MoleculeLeafClass;
@@ -291 +292 @@
   /// Fragment molecule by two different approaches:
   bool StoreBondsToFile(std::string filename, std::string path = "");
-  bool StoreAdjacencyToFile(std::string filename, std::string path = "");
-  bool CreateFatherLookupTable(atom **&LookupTable, int count = 0);
+  bool CreateFatherLookupTable(ListOfLocalAtoms_t &LookupTable, int count = 0);
 
   // Recognize doubly appearing molecules in a list of them
   int * GetFatherSonAtomicMap(molecule *OtherMolecule);
-  bool FillBondStructureFromReference(const molecule * const reference, atom **&ListOfLocalAtoms, bool FreeList = false);
-  bool FillListOfLocalAtoms(atom **&ListOfLocalAtoms, const int GlobalAtomCount);
+  bool FillBondStructureFromReference(const molecule * const reference, ListOfLocalAtoms_t &ListOfLocalAtoms, bool FreeList = false);
+  bool FillListOfLocalAtoms(ListOfLocalAtoms_t &ListOfLocalAtoms, const int GlobalAtomCount);
 
   // Output routines.