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

Comparing trunk/OOPSE/libmdtools/Molecule.hpp (file contents):
Revision 412 by mmeineke, Wed Mar 26 21:50:33 2003 UTC vs.
Revision 416 by gezelter, Wed Mar 26 23:14:02 2003 UTC

#	Line 4 \| Line 4
4		#include "Atom.hpp"
5		#include "SRI.hpp"
6		#include "MoleculeStamp.hpp"
7	+	#include "Exclude.hpp"
8
9		typedef struct{
10
#	Line 11 \| Line 12 \| typedef struct{
12		int nAtoms; // the number of atoms in the molecule
13		int nBonds; // ... .. .. . .bonds .. .. . . . .
14		int nBends; // . . . . .. . .bends . . . . .. .
15	<	int nTorsions // .. . . .. . . torsions . . .. . .
16	<	int nOriented; // .. . . . .. . oreineted atoms . . .
15	>	int nTorsions; // .. . . .. . . torsions . . .. . .
16	>	int nOriented; // .. . . . .. . oriented atoms . . .
17
17	–
18		Atom** myAtoms; // the array of atoms
19		Exclude** myExcludes;// the array of Excluded pairs
20		Bond** myBonds; // arrays of all the short range interactions
#	Line 50 \| Line 50 \| class Molecule{ (private)
50		int nAtoms; // the number of atoms in the molecule
51		int nBonds; // ... .. .. . .bonds .. .. . . . .
52		int nBends; // . . . . .. . .bends . . . . .. .
53	<	int nTorsions // .. . . .. . . torsions . . .. . .
54	<	int nOriented; // .. . . . .. . oreineted atoms . . .
55	<
53	>	int nTorsions; // .. . . .. . . torsions . . .. . .
54	>	int nOriented; // .. . . . .. . oriented atoms . . .
55	>	int nMembers;
56
57		Atom** myAtoms; // the array of atoms
58		Bond** myBonds; // arrays of all the short range interactions

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