[ViewVC] Diff of: group/trunk/OOPSE_old/src/mdtools/libmdCode/SRI.hpp

Comparing trunk/OOPSE_old/src/mdtools/libmdCode/SRI.hpp (file contents):
Revision 270 by mmeineke, Fri Feb 14 17:08:46 2003 UTC vs.
Revision 311 by mmeineke, Tue Mar 11 16:27:34 2003 UTC

#	Line 50 \| Line 50 \| class Bend : public SRI{ (public)
50		Bend() {}
51		virtual ~Bend() {}
52
53	<	void calc_forces();
53	>	virtual void calc_forces();
54		int is_constrained() {return 0;}
55		Constraint *get_constraint() {return NULL;}
56		void constrain(double bond_distance){} /meaningless for bends /
#	Line 135 \| Line 135 \| class CubicTorsion : public Torsion{
135		double theta0;
136		};
137
138	+	class GhostBend : public Bend{
139	+
140	+	public:
141	+	GhostBend( Atom &a, Atom &b );
142	+	~GhostBend(){}
143	+
144	+	void calc_forces( void );
145	+
146	+	void setConstants( double the_c1, double the_c2, double the_c3,
147	+	double the_Th0 );
148	+	void printMe( void ){
149	+	std::cerr << c_p_a->getType() << " - " << c_p_b->getType()
150	+	<< " : "
151	+	<< c_p_a->getIndex() << " - " << c_p_b->getIndex() << " - "
152	+	<<", k1 = " << c1 << "; k2 = " << c2
153	+	<< "; k3 = " << c3 << "; theta0 =" << theta0 << "\n";
154	+	}
155	+
156	+	private:
157	+	double bend_force( double theta );
158	+
159	+	double c1, c2, c3;
160	+	double theta0;
161	+
162	+	DirectionalAtom* atomB;
163	+	};
164	+
165		class CubicTorsion : public Torsion{
166
167		public:

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