OpenMD 3.1
Molecular Dynamics in the Open
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Public Member Functions | |
DistanceFinder (SimInfo *si) | |
SelectionSet | find (const SelectionSet &bs, RealType distance) |
SelectionSet | find (const SelectionSet &bs, RealType distance, int frame) |
Public Attributes | |
SimInfo * | info_ {nullptr} |
std::vector< StuntDouble * > | stuntdoubles_ |
std::vector< Bond * > | bonds_ |
std::vector< Bend * > | bends_ |
std::vector< Torsion * > | torsions_ |
std::vector< Inversion * > | inversions_ |
std::vector< Molecule * > | molecules_ |
vector< int > | nObjects_ |
Definition at line 58 of file DistanceFinder.hpp.
OpenMD::DistanceFinder::DistanceFinder | ( | SimInfo * | si | ) |
Definition at line 55 of file DistanceFinder.cpp.
SelectionSet OpenMD::DistanceFinder::find | ( | const SelectionSet & | bs, |
RealType | distance ) |
Definition at line 117 of file DistanceFinder.cpp.
SelectionSet OpenMD::DistanceFinder::find | ( | const SelectionSet & | bs, |
RealType | distance, | ||
int | frame ) |
Definition at line 242 of file DistanceFinder.cpp.
std::vector<Bend*> OpenMD::DistanceFinder::bends_ |
Definition at line 68 of file DistanceFinder.hpp.
std::vector<Bond*> OpenMD::DistanceFinder::bonds_ |
Definition at line 67 of file DistanceFinder.hpp.
SimInfo* OpenMD::DistanceFinder::info_ {nullptr} |
Definition at line 65 of file DistanceFinder.hpp.
std::vector<Inversion*> OpenMD::DistanceFinder::inversions_ |
Definition at line 70 of file DistanceFinder.hpp.
std::vector<Molecule*> OpenMD::DistanceFinder::molecules_ |
Definition at line 71 of file DistanceFinder.hpp.
vector<int> OpenMD::DistanceFinder::nObjects_ |
Definition at line 72 of file DistanceFinder.hpp.
std::vector<StuntDouble*> OpenMD::DistanceFinder::stuntdoubles_ |
Definition at line 66 of file DistanceFinder.hpp.
std::vector<Torsion*> OpenMD::DistanceFinder::torsions_ |
Definition at line 69 of file DistanceFinder.hpp.