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root/group/branches/new_design/OOPSE-3.0/src/brains/SimCreator.cpp
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Comparing branches/new_design/OOPSE-3.0/src/brains/SimCreator.cpp (file contents):
Revision 1739 by tim, Sat Nov 13 05:08:12 2004 UTC vs.
Revision 1740 by tim, Mon Nov 15 23:00:32 2004 UTC

# Line 35 | Line 35 | void SimSetup::parseFile(const std::string& mdFileName
35  
36   namespace oopse {
37  
38 < void SimSetup::parseFile(const std::string& mdFileName, MakeStamps *stamps, Globals *globals) {
38 > void SimCreator::parseFile(const std::string& mdFileName, MakeStamps *stamps, Globals *globals) {
39  
40   #ifdef IS_MPI
41  
# Line 81 | Line 81 | SimInfo*  SimCreator::createSim(const std::string & md
81      //create the force field
82      ForceFiled * ff = ForceFieldFactory::getInstance()->createObject(
83                            globals->getForceField());
84 <
84 >    
85      if (ff == NULL) {
86          sprintf(painCave.errMsg, "ForceFiled Factory can not create %s force field\n",
87                  globals->getForceField());
88          painCave.isFatal = 1;
89          simError();
90      }
91 +    ff->parse();
92  
93      //extract the molecule stamps
94      std::vector < std::pair<MoleculeStamp *, int> > moleculeStampPairs;

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