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

Comparing trunk/OOPSE/libmdtools/Atom.hpp (file contents):
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC vs.
Revision 1187 by chrisfen, Sat May 22 18:16:18 2004 UTC

#	Line 7 \| Line 7
7
8		#include "SimState.hpp"
9		#include "StuntDouble.hpp"
10	+	#include "BaseVisitor.hpp"
11
12		class Atom : public StuntDouble {
13		public:
#	Line 47 \| Line 48 \| class Atom : public StuntDouble { (public)
48		void setHasDipole( int value ) { has_dipole = value; }
49		int hasDipole( void ) { return has_dipole; }
50
51	+	void setHasCharge(int value) {has_charge = value;}
52	+	int hasCharge(void) {return has_charge;}
53	+
54	+
55	+	virtual void accept(BaseVisitor* v) {v->visit(this);}
56	+
57		protected:
58
59		SimState* myConfig;
#	Line 59 \| Line 66 \| class Atom : public StuntDouble { (public)
66		double* mu; // the array of dipole moments
67		double* ul; // the lab frame unit directional vector
68
69	+	double zAngle; // the rotation about the z-axis ( body-fixed )
70	+
71		double c_mass; /* the mass of the atom in amu */
72
73		int index; /* set the atom's index */
#	Line 73 \| Line 82 \| class Atom : public StuntDouble { (public)
82		int ident; // it's unique numeric identity.
83
84		int has_dipole; // dipole boolean
85	+	int has_charge; // charge boolean
86
87		bool hasCoords;
88

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