[ViewVC] Diff of: group/trunk/SHAPES/forcer.cpp

Comparing trunk/SHAPES/forcer.cpp (file contents):
Revision 1244 by gezelter, Fri Jun 4 16:21:23 2004 UTC vs.
Revision 1271 by gezelter, Tue Jun 15 20:20:36 2004 UTC

#	Line 4 \| Line 4
4		#include <vector>
5		#include "forcerCmd.h"
6		#include "PDBReader.hpp"
7	+	#include "RigidBody.hpp"
8
9		#define MK_STR(s) # s
10		#define STR_DEFINE(t, s) t = MK_STR(s)
#	Line 47 \| Line 48 \| *int main(int argc, char argv[]){**
48		vector<Atype*> vdwAtypes;
49		vector<Atype*>::iterator i;
50		Atype* at;
51	+	RigidBody* rb;
52		vector<VDWAtom*> theAtoms;
53		vector<VDWAtom*>::iterator j;
54		VDWAtom* atom;
#	Line 222 \| Line 224 \| *int main(int argc, char argv[]){**
224		}
225		}
226
227	+	rb = new RigidBody();
228	+	for( j = theAtoms.begin(); j != theAtoms.end(); ++j){
229	+	rb->addAtom(*j);
230	+	}
231	+
232		//GridBuilder gb = new GridBuilder();
233		//gb->findAxesAndOrigin(theAtoms);
234		//gb->launchProbe(FF, sigmaGrid, sGrid, epsGrid);

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