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#include "primitives/Molecule.hpp" |
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namespace OpenMD { |
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IndexFinder::IndexFinder(SimInfo* info) : info_(info){ |
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nStuntDoubles_ = info_->getNGlobalAtoms() + info_->getNGlobalRigidBodies(); |
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bitSets_.resize(info_->getNGlobalMolecules()); |
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init(); |
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} |
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void IndexFinder::init() { |
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SimInfo::MoleculeIterator mi; |
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Molecule::RigidBodyIterator rbIter; |
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RigidBody* rb; |
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|
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< |
for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) { |
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> |
for (mol = info_->beginMolecule(mi); mol != NULL; |
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> |
mol = info_->nextMolecule(mi)) { |
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OpenMDBitSet bs(nStuntDoubles_); |
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for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { |
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bs.setBitOn(atom->getGlobalIndex()); |
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} |
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< |
for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) { |
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> |
for (rb = mol->beginRigidBody(rbIter); rb != NULL; |
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> |
rb = mol->nextRigidBody(rbIter)) { |
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bs.setBitOn(rb->getGlobalIndex()); |
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} |
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bitSets_[mol->getGlobalIndex()] = bs; |
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< |
} |
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| 73 |
> |
} |
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} |
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OpenMDBitSet IndexFinder::find(int molIndex){ |
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for (int i = begMolIndex; i < endMolIndex; ++i) { |
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bs |= bitSets_[i]; |
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} |
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| 85 |
> |
} |
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return bs; |
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} |
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} |
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