# | Line 73 | Line 73 | SimInfo::SimInfo(std::vector<std::pair<MoleculeStamp*, | |
---|---|---|
73 | nGlobalIntegrableObjects_(0), nGlobalRigidBodies_(0), | |
74 | nAtoms_(0), nBonds_(0), nBends_(0), nTorsions_(0), nRigidBodies_(0), | |
75 | nIntegrableObjects_(0), nCutoffGroups_(0), nConstraints_(0), | |
76 | < | sman_(NULL), fortranInitialized_(false), selectMan_(NULL) { |
76 | > | sman_(NULL), fortranInitialized_(false) { |
77 | ||
78 | ||
79 | std::vector<std::pair<MoleculeStamp*, int> >::iterator i; | |
# | Line 139 | Line 139 | SimInfo::SimInfo(std::vector<std::pair<MoleculeStamp*, | |
139 | molToProcMap_.resize(nGlobalMols_); | |
140 | #endif | |
141 | ||
142 | – | selectMan_ = new SelectionManager(this); |
143 | – | selectMan_->selectAll(); |
142 | } | |
143 | ||
144 | SimInfo::~SimInfo() { | |
# | Line 155 | Line 153 | SimInfo::~SimInfo() { | |
153 | delete sman_; | |
154 | delete simParams_; | |
155 | delete forceField_; | |
158 | – | delete selectMan_; |
156 | } | |
157 | ||
158 | int SimInfo::getNGlobalConstraints() { |
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