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root/group/branches/new_design/OOPSE-2.0/src/brains/SimInfo.cpp
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Comparing branches/new_design/OOPSE-2.0/src/brains/SimInfo.cpp (file contents):
Revision 1719 by tim, Fri Nov 5 23:38:27 2004 UTC vs.
Revision 1725 by tim, Wed Nov 10 22:01:06 2004 UTC

# Line 64 | Line 64 | bool SimInfo::addMolecule(Molecule* mol) {
64          nCutoffGroups_ += mol->getNCutoffGroups();
65          nConstraints_ += mol->getNConstraints();
66  
67 +        globalIndexToMol_.insert(make_pair(mol->getGlobalIndex(), mol));
68          return true;
69      } else {
70          return false;
# Line 85 | Line 86 | bool SimInfo::removeMolecule(Molecule* mol) {
86          nCutoffGroups_ -= mol->getNCutoffGroups();
87          nConstraints_ -= mol->getNConstraints();
88  
89 +        globalIndexToMol_.erase(mol->getGlobalIndex());
90          return true;
91      } else {
92          return false;
# Line 105 | Line 107 | void SimInfo::calcNDF() {
107   }
108  
109  
110 < void SimInfo::calcNDF() {
110 > void SimInfo::calcNdf() {
111      int ndf_local;
112      std::vector<Molecule*>::iterator i;
113      std::vector<StuntDouble*>::iterator j;
# Line 146 | Line 148 | void SimInfo::calcNDFRaw() {
148  
149   }
150  
151 < void SimInfo::calcNDFRaw() {
151 > void SimInfo::calcNdfRaw() {
152      int ndfRaw_local;
153  
154      std::vector<Molecule*>::iterator i;
# Line 181 | Line 183 | void SimInfo::calcNDFTrans() {
183   #endif
184   }
185  
186 < void SimInfo::calcNDFTrans() {
186 > void SimInfo::calcNdfTrans() {
187      int ndfTrans_local;
188  
189      ndfTrans_local = 3 * nIntegrableObjects_ - nConstraints_;
# Line 287 | Line 289 | void SimInfo::removeExcludePairs(Molecule* mol) {
289   }
290  
291  
292 + void SimInfo::addMoleculeStamp(MoleculeStamp* molStamp, int nmol) {
293 +    int curStampId;
294 +
295 +    //index from 0
296 +    curStampId = molStampIds_.size();
297 +
298 +    moleculeStamps_.push_back(molStamp);
299 +    molStampIds_.insert(molStampIds_.end(), nmol, curStampId)
300 + }
301 +
302 + std::ostream& operator <<(ostream& o, SimInfo& info) {
303 +
304 +    return o;
305 + }
306 +
307   }//end namespace oopse

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