Changeset dcbdf2 for molecuilder/src/atom.hpp

Timestamp:

Oct 5, 2009, 10:08:57 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

3746440

Parents:

d40b96

Message:

New function atom::CorrectFactor() and atom::EqualsFather().

• are just small functions used for molecule::ActOnAllAtoms().

File:

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

molecuilder/src/atom.hpp

@@ -53 +53 @@
   bool Output(int ElementNo, int AtomNo, ofstream *out, const char *comment = NULL) const;
   bool OutputXYZLine(ofstream *out) const;
+  void EqualsFather ( atom *ptr, atom **res );
+  void CorrectFather();
   atom *GetTrueFather();
   bool Compare(const atom &ptr);