OpenMD 3.1
Molecular Dynamics in the Open
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Public Member Functions | Public Attributes | List of all members
OpenMD::HullFinder Class Reference
+ Inheritance diagram for OpenMD::HullFinder:

Public Member Functions

 HullFinder (SimInfo *si)
 
SelectionSet findHull ()
 
SelectionSet findHull (int frame)
 
RealType getSurfaceArea ()
 
RealType getVolume ()
 

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_
 
Hull * surfaceMesh_
 
RealType surfaceArea_
 
RealType volume_
 
std::vector< StuntDouble * > localSites_
 

Detailed Description

Definition at line 56 of file HullFinder.hpp.

Constructor & Destructor Documentation

◆ HullFinder()

OpenMD::HullFinder::HullFinder ( SimInfo * si)

Definition at line 53 of file HullFinder.cpp.

◆ ~HullFinder()

OpenMD::HullFinder::~HullFinder ( )

Definition at line 145 of file HullFinder.cpp.

Member Function Documentation

◆ findHull() [1/2]

SelectionSet OpenMD::HullFinder::findHull ( )

Definition at line 151 of file HullFinder.cpp.

◆ findHull() [2/2]

SelectionSet OpenMD::HullFinder::findHull ( int frame)

Definition at line 186 of file HullFinder.cpp.

◆ getSurfaceArea()

RealType OpenMD::HullFinder::getSurfaceArea ( )
inline

Definition at line 63 of file HullFinder.hpp.

◆ getVolume()

RealType OpenMD::HullFinder::getVolume ( )
inline

Definition at line 64 of file HullFinder.hpp.

Member Data Documentation

◆ bends_

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

Definition at line 69 of file HullFinder.hpp.

◆ bonds_

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

Definition at line 68 of file HullFinder.hpp.

◆ info_

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

Definition at line 66 of file HullFinder.hpp.

◆ inversions_

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

Definition at line 71 of file HullFinder.hpp.

◆ localSites_

std::vector<StuntDouble*> OpenMD::HullFinder::localSites_

Definition at line 78 of file HullFinder.hpp.

◆ molecules_

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

Definition at line 72 of file HullFinder.hpp.

◆ nObjects_

vector<int> OpenMD::HullFinder::nObjects_

Definition at line 73 of file HullFinder.hpp.

◆ stuntdoubles_

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

Definition at line 67 of file HullFinder.hpp.

◆ surfaceArea_

RealType OpenMD::HullFinder::surfaceArea_

Definition at line 76 of file HullFinder.hpp.

◆ surfaceMesh_

Hull* OpenMD::HullFinder::surfaceMesh_

Definition at line 75 of file HullFinder.hpp.

◆ torsions_

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

Definition at line 70 of file HullFinder.hpp.

◆ volume_

RealType OpenMD::HullFinder::volume_

Definition at line 77 of file HullFinder.hpp.

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