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root/group/branches/no-template-branch/OOPSE/libmdtools/Molecule.cpp
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Comparing trunk/OOPSE/libmdtools/Molecule.cpp (file contents):
Revision 426 by mmeineke, Thu Mar 27 20:40:01 2003 UTC vs.
Revision 435 by mmeineke, Fri Mar 28 19:33:37 2003 UTC

# Line 1 | Line 1
1 < #include <cstlib>
1 > #include <cstdlib>
2  
3  
4   #include "Molecule.hpp"
# Line 60 | Line 60 | void Molecule::initialize( molInit &theInit ){
60    myBonds = theInit.myBonds;
61    myBends = theInit.myBends;
62    myTorsions = theInit.myTorsions;
63 <  myExcludes = theInit.myExcludses;
63 >  myExcludes = theInit.myExcludes;
64      
65   }
66  
# Line 82 | Line 82 | void Molecule::calcForces( void ){
82   }
83  
84  
85 < void Molecule::getPotential( void ){
85 > double Molecule::getPotential( void ){
86    
87    int i;
88    double myPot = 0.0;
# Line 101 | Line 101 | void Molecule::getPotential( void ){
101  
102    return myPot;
103   }
104 +
105 + void Molecule::printMe( void ){
106 +  
107 +  int i;
108 +
109 +  for(i=0; i<nBonds; i++){
110 +    myBonds[i]->printMe();
111 +  }
112 +
113 +  for(i=0; i<nBends; i++){
114 +    myBends[i]->printMe();
115 +  }
116 +
117 +  for(i=0; i<nTorsions; i++){
118 +    myTorsions[i]->printMe();
119 +  }
120 + }

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