[ViewVC] Diff of: group/branches/new_design/OOPSE-2.0/src/primitives/Molecule.hpp

Comparing branches/new_design/OOPSE-2.0/src/primitives/Molecule.hpp (file contents):
Revision 1725 by tim, Wed Nov 10 22:01:06 2004 UTC vs.
Revision 1733 by tim, Fri Nov 12 06:19:04 2004 UTC

#	Line 63 \| Line 63 \| class Molecule {
63		typedef std::vector<CutoffGroup*>::iterator CutoffGroupIterator;
64		typedef std::vector<StuntDouble*>::iterator IntegrableObjectIterator;
65
66	<	Molecule(int stampId, int globalIndex);
66	>	Molecule(int stampId, int globalIndex, const std::string& molName);
67		virtual ~Molecule();
68
69		/**
#	Line 72 \| Line 72 \| class Molecule {
72		*/
73		int getGlobalIndex() {
74		return globalIndex_;
75	+	}
76	+
77	+	/**
78	+	* Returns the stamp id of this molecule
79	+	* @note Ideally, every molecule should keep a pointer of its molecule stamp instead of its
80	+	* stamp id. However, the pointer will become invalid, if the molecule migrate to other processor.
81	+	*/
82	+	int getStampId() {
83	+	return stampId_;
84		}
85
86	+	/** Returns the name of the molecule */
87	+	std::string getType() {
88	+	return moleculeName_;
89	+	}
90	+
91		/**
92		* Sets the global index of this molecule.
93		* @param new global index to be set
#	Line 82 \| Line 96 \| class Molecule {
96		return globalIndex_;
97		}
98
99	+
100		/** add an atom into this molecule */
101		void addAtom(Atom* atom);
102
#	Line 255 \| Line 270 \| class Molecule {
270		std::vector<CutoffGroup*> cutoffGroups_;
271		std::vector<Constraint*> constraints_;
272
273	<	int stampID;
273	>	int stampId_;
274	>	std::string moleculeName_;
275		};
276
277		} //namespace oopse

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