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

Comparing trunk/OOPSE/libmdtools/Molecule.hpp (file contents):
Revision 438 by chuckv, Mon Mar 31 21:50:59 2003 UTC vs.
Revision 449 by mmeineke, Thu Apr 3 20:57:56 2003 UTC

#	Line 15 \| Line 15 \| typedef struct{
15		int nTorsions; // .. . . .. . . torsions . . .. . .
16		int nOriented; // .. . . . .. . oriented atoms . . .
17		int nExcludes; // . . .. . . . .exclude pairs.. . . .
18	<
18	>
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 57 \| Line 57 \| class Molecule{ (public)
57		double getPotential( void );
58
59		void printMe( void );
60	–
60
61	+	void getCOM( double COM[3] );
62	+	void moveCOM(double delta[3]);
63	+
64		private:
65
66		int stampID; // the ID in the BASS component stamp array

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