[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/Molecule.hpp

Comparing trunk/OOPSE/libmdtools/Molecule.hpp (file contents):
Revision 1157 by tim, Tue May 11 20:33:41 2004 UTC vs.
Revision 1167 by tim, Wed May 12 16:38:45 2004 UTC

#	Line 21 \| Line 21 \| typedef struct{
21		int nTorsions; // .. . . .. . . torsions . . .. . .
22		int nRigidBodies; // .. .. .. . rigid bodies ... ..
23		int nOriented; // .. . . . .. . oriented atoms . . .
24	–	int nCutoffGroups;
24
25		Atom** myAtoms; // the array of atoms
26		Bond** myBonds; // arrays of all the short range interactions
#	Line 73 \| Line 72 \| class Molecule{ (public)
72		return i != myCutoffGroups.end()? *i : NULL;
73		}
74
76	–	bool belongToCutoffGroup(int index){
77	–	return cutoffAtomSet.find(index) != cutoffAtomSet.end()? true: false;
78	–	}
79	–
75		int getNCutoffGroups() {return nCutoffGroups;}
76
77		void setStampID( int info ) {stampID = info;}
#	Line 115 \| Line 110 \| class Molecule{ (public)
110		vector<RigidBody*> myRigidBodies;
111		vector<StuntDouble*> myIntegrableObjects;
112		vector<CutoffGroup*> myCutoffGroups;
118	–	set<int> cutoffAtomSet; //global index of atoms belonging to cutoff group
113
114
115		};

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines