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root/OpenMD/trunk/src/primitives/Molecule.hpp
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Comparing trunk/src/primitives/Molecule.hpp (file contents):
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1908 by gezelter, Fri Jul 19 21:25:45 2013 UTC

# Line 86 | Line 86 | namespace OpenMD{
86      typedef std::vector<ConstraintElem*>::iterator ConstraintElemIterator;
87      typedef std::vector<Atom*>::iterator FluctuatingChargeIterator;
88      
89 <    Molecule(int stampId, int globalIndex, const std::string& molName);
89 >    Molecule(int stampId, int globalIndex, const std::string& molName, int region);
90      virtual ~Molecule();
91  
92      /**
# Line 106 | Line 106 | namespace OpenMD{
106       */
107      int getStampId() {
108        return stampId_;
109 +    }
110 +    int getRegion() {
111 +      return region_;
112      }
113      
114      /** Returns the name of the molecule */
# Line 407 | Line 410 | namespace OpenMD{
410      std::vector<ConstraintElem*> constraintElems_;
411      std::vector<Atom*> fluctuatingCharges_;
412      int stampId_;
413 +    int region_;
414      std::string moleculeName_;
415      PropertyMap properties_;
416      bool constrainTotalCharge_;

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