Changeset 6e250f for molecuilder

Timestamp:

Oct 18, 2009, 4:35:25 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

312ba2

Parents:

f444ce

Message:

Removed ResetAllAtomNumbers(), replaced by templated SetAtomValueToValue().

Location:

molecuilder/src

Files:

• molecule.hpp (modified) (2 diffs)
• molecule_graph.cpp (modified) (2 diffs)
• molecule_template.hpp (modified) (1 diff)

molecuilder/src/molecule.hpp

@@ -187 +187 @@
   template <typename T> void SetAtomValueToIndexedArray ( T *array, int TesselPoint::*index, T atom::*value );
   template <typename T> void SetAtomValueToIndexedArray ( T *array, int element::*index, T atom::*value );
+  template <typename T> void SetAtomValueToValue ( T value, T atom::*ptr );
 
   template <typename res> res SumPerAtom(res (atom::*f)() );
@@ -269 +270 @@
   void InitComponentNumbers();
   void ResetAllBondsToUnused();
-  void ResetAllAtomNumbers();
   int CountCyclicBonds(ofstream *out);
   bool CheckForConnectedSubgraph(ofstream *out, KeySet *Fragment);

molecuilder/src/molecule_graph.cpp

@@ -387 +387 @@
 
   ResetAllBondsToUnused();
-  ResetAllAtomNumbers();
+  SetAtomValueToValue( -1, &atom::GraphNr );
   ActOnAllAtoms( &atom::InitComponentNr );
   BackEdgeStack->ClearStack();
@@ -804 +804 @@
     Binder = Binder->next;
     Binder->ResetUsed();
-  }
-};
-
-/** Resets atom::nr to -1 of all atoms in this molecule.
- */
-void molecule::ResetAllAtomNumbers()
-{
-  atom *Walker = start;
-  while (Walker->next != end) {
-    Walker = Walker->next;
-    Walker->GraphNr  = -1;
   }
 };

molecuilder/src/molecule_template.hpp

@@ -612 +612 @@
   }
 };
+template <typename T> void molecule::SetAtomValueToValue ( T value, T atom::*ptr )
+{
+  atom *Walker = start;
+  while (Walker->next != end) {
+    Walker = Walker->next;
+    Walker->*ptr = value;
+    //cout << Verbose(2) << *Walker << " gets " << (Walker->*ptr) << endl;
+  }
+};
+
 
 #endif /* MOLECULE_TEMPLATE_HPP_ */