OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::DistanceFinder Class Reference

Public Member Functions

 DistanceFinder (SimInfo *si)
 
SelectionSet find (const SelectionSet &bs, RealType distance)
 
SelectionSet find (const SelectionSet &bs, RealType distance, int frame)
 

Public Attributes

SimInfoinfo_ {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_
 

Detailed Description

Definition at line 58 of file DistanceFinder.hpp.

Constructor & Destructor Documentation

◆ DistanceFinder()

OpenMD::DistanceFinder::DistanceFinder ( SimInfo * si)

Definition at line 55 of file DistanceFinder.cpp.

Member Function Documentation

◆ find() [1/2]

SelectionSet OpenMD::DistanceFinder::find ( const SelectionSet & bs,
RealType distance )

Definition at line 117 of file DistanceFinder.cpp.

◆ find() [2/2]

SelectionSet OpenMD::DistanceFinder::find ( const SelectionSet & bs,
RealType distance,
int frame )

Definition at line 242 of file DistanceFinder.cpp.

Member Data Documentation

◆ bends_

std::vector<Bend*> OpenMD::DistanceFinder::bends_

Definition at line 68 of file DistanceFinder.hpp.

◆ bonds_

std::vector<Bond*> OpenMD::DistanceFinder::bonds_

Definition at line 67 of file DistanceFinder.hpp.

◆ info_

SimInfo* OpenMD::DistanceFinder::info_ {nullptr}

Definition at line 65 of file DistanceFinder.hpp.

◆ inversions_

std::vector<Inversion*> OpenMD::DistanceFinder::inversions_

Definition at line 70 of file DistanceFinder.hpp.

◆ molecules_

std::vector<Molecule*> OpenMD::DistanceFinder::molecules_

Definition at line 71 of file DistanceFinder.hpp.

◆ nObjects_

vector<int> OpenMD::DistanceFinder::nObjects_

Definition at line 72 of file DistanceFinder.hpp.

◆ stuntdoubles_

std::vector<StuntDouble*> OpenMD::DistanceFinder::stuntdoubles_

Definition at line 66 of file DistanceFinder.hpp.

◆ torsions_

std::vector<Torsion*> OpenMD::DistanceFinder::torsions_

Definition at line 69 of file DistanceFinder.hpp.


The documentation for this class was generated from the following files: