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root/group/trunk/OOPSE/libmdtools/Molecule.hpp
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Comparing trunk/OOPSE/libmdtools/Molecule.hpp (file contents):
Revision 435 by mmeineke, Fri Mar 28 19:33:37 2003 UTC vs.
Revision 438 by chuckv, Mon Mar 31 21:50:59 2003 UTC

# Line 33 | Line 33 | class Molecule{ (public)
33    ~Molecule( void );
34  
35    void initialize( molInit &theInit );
36 +
37 +  void setMyIndex( int theIndex ){ myIndex = theIndex;}
38  
39    int getNAtoms   ( void ) {return nAtoms;}
40    int getNBonds   ( void ) {return nBonds;}
# Line 68 | Line 70 | class Molecule{ (public)
70    int nMembers;  // .. . . . . . .atoms (legacy code) . . .
71    int nExcludes; // . . . . .. .. excludes .. . .
72  
73 +  int myIndex; // mostly just for debug
74 +
75    Atom** myAtoms;     // the array of atoms
76    Bond** myBonds;     // arrays of all the short range interactions
77    Bend** myBends;

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