[ViewVC] Diff of: group/branches/no-template-branch/OOPSE/libmdtools/Molecule.cpp

Comparing trunk/OOPSE/libmdtools/Molecule.cpp (file contents):
Revision 427 by mmeineke, Thu Mar 27 20:48:37 2003 UTC vs.
Revision 435 by mmeineke, Fri Mar 28 19:33:37 2003 UTC

#	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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