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root/group/trunk/OOPSE/libmdtools/Molecule.hpp
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Comparing trunk/OOPSE/libmdtools/Molecule.hpp (file contents):
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC vs.
Revision 1104 by gezelter, Tue Apr 13 16:26:03 2004 UTC

# Line 20 | Line 20 | typedef struct{
20    Bond** myBonds;      // arrays of all the short range interactions
21    Bend** myBends;
22    Torsion** myTorsions;
23 <  RigidBody** myRigidBodies;
23 >  vector<RigidBody*>   myRigidBodies;
24 >  vector<StuntDouble*> myIntegrableObjects;
25   } molInit;
26  
27   class Molecule{
# Line 42 | Line 43 | class Molecule{ (public)
43    int getNBonds   ( void )    {return nBonds;}
44    int getNBends   ( void )    {return nBends;}
45    int getNTorsions( void )    {return nTorsions;}
46 <  int getNRigidBodies( void ) {return nRigidBodies;}
46 >  int getNRigidBodies( void ) {return myRigidBodies.size();}
47    int getNOriented( void )    {return nOriented;}
48    int getNMembers ( void )    {return nMembers;}
49    int getStampID  ( void )    {return stampID;}
# Line 51 | Line 52 | class Molecule{ (public)
52    Bond**      getMyBonds   ( void )    {return myBonds;}
53    Bend**      getMyBends   ( void )    {return myBends;}
54    Torsion**   getMyTorsions( void )    {return myTorsions;}
55 <  RigidBody** getMyRigidBodies( void ) {return myRigidBodies;}
55 >  vector<RigidBody*> getMyRigidBodies( void ) {return myRigidBodies;}
56    
57    void setStampID( int info ) {stampID = info;}
58  
# Line 85 | Line 86 | class Molecule{ (public)
86    Bond** myBonds;     // arrays of all the short range interactions
87    Bend** myBends;
88    Torsion** myTorsions;
89 <  RigidBody** myRigidBodies;
90 <  
89 >  vector<RigidBody*>   myRigidBodies;
90 >  vector<StuntDouble*> myIntegrableObjects;
91 >
92   };
93  
94   #endif

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