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

Comparing trunk/OOPSE/libmdtools/Molecule.hpp (file contents):
Revision 446 by gezelter, Thu Apr 3 20:19:50 2003 UTC vs.
Revision 449 by mmeineke, Thu Apr 3 20:57:56 2003 UTC

#	Line 16 \| Line 16 \| typedef struct{
16		int nOriented; // .. . . . .. . oriented atoms . . .
17		int nExcludes; // . . .. . . . .exclude pairs.. . . .
18
19	–	double* COM; // the location of the center of mass of the molecule
20	–
19		Atom** myAtoms; // the array of atoms
20		Exclude** myExcludes;// the array of Excluded pairs
21		Bond** myBonds; // arrays of all the short range interactions
#	Line 60 \| Line 58 \| class Molecule{ (public)
58
59		void printMe( void );
60
61	<	double* getCOM();
62	<	void moveCOM(double* delta);
61	>	void getCOM( double COM[3] );
62	>	void moveCOM(double delta[3]);
63
64		private:
65
#	Line 82 \| Line 80 \| class Molecule{ (public)
80		Torsion** myTorsions;
81		Exclude** myExcludes; // array of the excluded pairs of long range forces
82
85	–	double* COM;
83		};
84
85		#endif

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