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root/OpenMD/trunk/src/visitors/AtomNameVisitor.cpp
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Comparing trunk/src/visitors/AtomNameVisitor.cpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).                        
40   */
41   #include <sstream>
# Line 57 | Line 57 | namespace OpenMD {
57    void AtomNameVisitor::visitAtom(Atom* atom) {
58      AtomData* atomData;
59      GenericData* data;    
60 –    bool haveAtomData;
60      
61      data = atom->getPropertyByName("ATOMDATA");
62      if(data != NULL){
63        atomData = dynamic_cast<AtomData*>(data);  
64        if(atomData == NULL){
65 <        std::cerr << "can not get Atom Data from " << atom->getType() << std::endl;
65 >        std::cerr << "can not get Atom Data from " << atom->getType()
66 >                  << std::endl;
67          atomData = new AtomData;
68 –        haveAtomData = false;      
68        } else {
70 –        haveAtomData = true;
69        }
70      } else {
71        atomData = new AtomData;
74 –      haveAtomData = false;
72      }
73      
74      std::vector<AtomInfo*>::iterator i;

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