[ViewVC] Diff of: group/trunk/mdtools/headers/Atom.hpp

Comparing trunk/mdtools/headers/Atom.hpp (file contents):
Revision 117 by mmeineke, Tue Sep 24 22:10:55 2002 UTC vs.
Revision 134 by chuckv, Fri Oct 11 15:09:09 2002 UTC

#	Line 58 \| Line 58 \| class Atom{ (public)
58		int get_n_hydrogens() const {return c_n_hyd;}
59
60		void setHasDipole( int value ) { has_dipole = value; }
61	<	short int hasDipole( void ) { return has_dipole; }
61	>	int hasDipole( void ) { return has_dipole; }
62
63		void setLJ( void ) { is_LJ = 1; is_VDW = 0; }
64	<	short int isLJ( void ) { return is_LJ; }
64	>	int isLJ( void ) { return is_LJ; }
65
66		void seVDW( void ) { is_VDW = 1; is_LJ = 0; }
67	<	short int isVDW( void ) { return is_VDW; }
67	>	int isVDW( void ) { return is_VDW; }
68
69		virtual int isDirectional( void ) = 0;
70
#	Line 92 \| Line 92 \| class Atom{ (public)
92
93		int c_n_hyd; // the number of hydrogens bonded to the atom
94
95	<	short int has_dipole; // dipole boolean
96	<	short int is_VDW; // VDW boolean
97	<	short int is_LJ; // LJ boolean
95	>	int has_dipole; // dipole boolean
96	>	int is_VDW; // VDW boolean
97	>	int is_LJ; // LJ boolean
98
99		};
100
#	Line 196 \| Line 196 \| class DirectionalAtom : public Atom { (private)
196
197		private:
198
199	<	double Axx, Axy, Axz;; // the rotational matrix
199	>	double Axx, Axy, Axz; // the rotational matrix
200		double Ayx, Ayy, Ayz;
201		double Azx, Azy, Azz;
202

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