--- trunk/src/brains/SimInfo.cpp 2005/03/10 23:56:42 430 +++ trunk/src/brains/SimInfo.cpp 2005/03/11 15:55:17 435 @@ -380,19 +380,6 @@ void SimInfo::addExcludePairs(Molecule* mol) { } } - Molecule::CutoffGroupIterator cgIter; - CutoffGroup* cg; - for (cg = mol->beginCutoffGroup(cgIter); cg != NULL; cg = mol->nextCutoffGroup(cgIter)) { - std::vector atoms = cg->getAtoms(); - for (int i = 0; i < atoms.size() -1 ; ++i) { - for (int j = i + 1; j < atoms.size(); ++j) { - a = atoms[i]->getGlobalIndex(); - b = atoms[j]->getGlobalIndex(); - exclude_.addPair(a, b); - } - } - } - } void SimInfo::removeExcludePairs(Molecule* mol) { @@ -449,19 +436,6 @@ void SimInfo::removeExcludePairs(Molecule* mol) { } } } - - Molecule::CutoffGroupIterator cgIter; - CutoffGroup* cg; - for (cg = mol->beginCutoffGroup(cgIter); cg != NULL; cg = mol->nextCutoffGroup(cgIter)) { - std::vector atoms = cg->getAtoms(); - for (int i = 0; i < atoms.size() -1 ; ++i) { - for (int j = i + 1; j < atoms.size(); ++j) { - a = atoms[i]->getGlobalIndex(); - b = atoms[j]->getGlobalIndex(); - exclude_.removePair(a, b); - } - } - } } @@ -697,9 +671,6 @@ void SimInfo::setupFortranSim() { } //setup fortran simulation - //gloalExcludes and molMembershipArray should go away (They are never used) - //why the hell fortran need to know molecule? - //OOPSE = Object-Obfuscated Parallel Simulation Engine int nGlobalExcludes = 0; int* globalExcludes = NULL; int* excludeList = exclude_.getExcludeList(); @@ -887,11 +858,10 @@ void SimInfo::setSnapshotManager(SnapshotManager* sman } void SimInfo::setSnapshotManager(SnapshotManager* sman) { - //if (sman_ == sman_) { - // return; - //} - - //delete sman_; + if (sman_ == sman) { + return; + } + delete sman_; sman_ = sman; Molecule* mol;