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root/group/branches/new_design/OOPSE-3.0/src/brains/SimInfo.cpp
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Comparing branches/new_design/OOPSE-3.0/src/brains/SimInfo.cpp (file contents):
Revision 1843 by tim, Fri Dec 3 21:30:30 2004 UTC vs.
Revision 1856 by tim, Mon Dec 6 04:49:53 2004 UTC

# Line 146 | Line 146 | bool SimInfo::addMolecule(Molecule* mol) {
146          nCutoffGroups_ += mol->getNCutoffGroups();
147          nConstraints_ += mol->getNConstraints();
148  
149 +        addExcludePairs(mol);
150 +        
151          return true;
152      } else {
153          return false;
# Line 169 | Line 171 | bool SimInfo::removeMolecule(Molecule* mol) {
171          nCutoffGroups_ -= mol->getNCutoffGroups();
172          nConstraints_ -= mol->getNConstraints();
173  
174 +        removeExcludePairs(mol);
175          molecules_.erase(mol->getGlobalIndex());
176  
177          delete mol;
# Line 602 | Line 605 | void SimInfo::setupFortranSim() {
605      //molMembershipArray is filled by SimCreator    
606      std::vector<int> molMembershipArray(nGlobalAtoms_);
607      for (int i = 0; i < nGlobalAtoms_; i++) {
608 <        molMembershipArray.push_back(globalMolMembership_[i] + 1);
608 >        molMembershipArray[i] = globalMolMembership_[i] + 1;
609      }
610      
611      //setup fortran simulation

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