[ViewVC] Diff of: group/trunk/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 438 by chuckv, Mon Mar 31 21:50:59 2003 UTC

#	Line 2 \| Line 2
2
3
4		#include "Molecule.hpp"
5	+	#include "simError.h"
6
7
8
#	Line 60 \| Line 61 \| void Molecule::initialize( molInit &theInit ){
61		myBonds = theInit.myBonds;
62		myBends = theInit.myBends;
63		myTorsions = theInit.myTorsions;
64	<	myExcludes = theInit.myExcludses;
64	>	myExcludes = theInit.myExcludes;
65
66		}
67
#	Line 82 \| Line 83 \| void Molecule::getPotential( void ){
83		}
84
85
86	<	void Molecule::getPotential( void ){
86	>	double Molecule::getPotential( void ){
87
88		int i;
89		double myPot = 0.0;
#	Line 101 \| Line 102 \| void Molecule::getPotential( void ){
102
103		return myPot;
104		}
105	+
106	+	void Molecule::printMe( void ){
107	+
108	+	int i;
109	+
110	+	for(i=0; i<nBonds; i++){
111	+	myBonds[i]->printMe();
112	+	}
113	+
114	+	for(i=0; i<nBends; i++){
115	+	myBends[i]->printMe();
116	+	}
117	+
118	+	for(i=0; i<nTorsions; i++){
119	+	myTorsions[i]->printMe();
120	+	}
121	+	}

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