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#ifndef SELECTION_DISTANCEFINDER_HPP |
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#define SELECTION_DISTANCEFINDER_HPP |
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#include "brains/SimInfo.hpp" |
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< |
#include "utils/OpenMDBitSet.hpp" |
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> |
#include "selection/SelectionSet.hpp" |
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#include "primitives/StuntDouble.hpp" |
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+ |
#include "primitives/Bond.hpp" |
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+ |
#include "primitives/Bend.hpp" |
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+ |
#include "primitives/Torsion.hpp" |
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+ |
#include "primitives/Inversion.hpp" |
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namespace OpenMD { |
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|
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class DistanceFinder { |
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public: |
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DistanceFinder(SimInfo* si); |
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|
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< |
OpenMDBitSet find(const OpenMDBitSet& bs, RealType distance); |
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< |
OpenMDBitSet find(const OpenMDBitSet& bs, RealType distance, int frame); |
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> |
SelectionSet find(const SelectionSet& bs, RealType distance); |
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> |
SelectionSet find(const SelectionSet& bs, RealType distance, int frame); |
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|
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SimInfo* info_; |
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std::vector<StuntDouble*> stuntdoubles_; |
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< |
int nStuntDoubles_; |
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> |
std::vector<Bond*> bonds_; |
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> |
std::vector<Bend*> bends_; |
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> |
std::vector<Torsion*> torsions_; |
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> |
std::vector<Inversion*> inversions_; |
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> |
vector<int> nObjects_; |
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|
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}; |
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