OpenMD 3.0
Molecular Dynamics in the Open
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Public Member Functions | List of all members
OpenMD::SelectionEvaluator Class Reference

"selection/SelectionEvaluator" More...

#include <SelectionEvaluator.hpp>

Public Member Functions

 SelectionEvaluator (SimInfo *info)
 
bool loadScriptString (const std::string &script)
 
bool loadScriptFile (const std::string &filename)
 
SelectionSet evaluate ()
 
SelectionSet evaluate (int frame)
 
bool isDynamic ()
 Tests if the result from evaluation of script is dynamic.
 
bool hadRuntimeError () const
 
std::string getErrorMessage () const
 
int getLinenumber ()
 
std::string getLine ()
 
bool hasSurfaceArea ()
 
RealType getSurfaceArea ()
 
bool hasVolume ()
 
RealType getVolume ()
 

Detailed Description

"selection/SelectionEvaluator"

Evalute the tokens compiled by SelectionCompiler and return a OpenMDBitSet

Definition at line 73 of file SelectionEvaluator.hpp.

Constructor & Destructor Documentation

◆ SelectionEvaluator()

OpenMD::SelectionEvaluator::SelectionEvaluator ( SimInfo * info)

Definition at line 63 of file SelectionEvaluator.cpp.

Member Function Documentation

◆ evaluate() [1/2]

SelectionSet OpenMD::SelectionEvaluator::evaluate ( )

Definition at line 876 of file SelectionEvaluator.cpp.

◆ evaluate() [2/2]

SelectionSet OpenMD::SelectionEvaluator::evaluate ( int frame)

Definition at line 885 of file SelectionEvaluator.cpp.

◆ getErrorMessage()

std::string OpenMD::SelectionEvaluator::getErrorMessage ( ) const
inline

Definition at line 90 of file SelectionEvaluator.hpp.

◆ getLine()

std::string OpenMD::SelectionEvaluator::getLine ( )
inline

Definition at line 94 of file SelectionEvaluator.hpp.

◆ getLinenumber()

int OpenMD::SelectionEvaluator::getLinenumber ( )
inline

Definition at line 92 of file SelectionEvaluator.hpp.

◆ getSurfaceArea()

RealType OpenMD::SelectionEvaluator::getSurfaceArea ( )
inline

Definition at line 104 of file SelectionEvaluator.hpp.

◆ getVolume()

RealType OpenMD::SelectionEvaluator::getVolume ( )
inline

Definition at line 117 of file SelectionEvaluator.hpp.

◆ hadRuntimeError()

bool OpenMD::SelectionEvaluator::hadRuntimeError ( ) const
inline

Definition at line 88 of file SelectionEvaluator.hpp.

◆ hasSurfaceArea()

bool OpenMD::SelectionEvaluator::hasSurfaceArea ( )
inline

Definition at line 103 of file SelectionEvaluator.hpp.

◆ hasVolume()

bool OpenMD::SelectionEvaluator::hasVolume ( )
inline

Definition at line 116 of file SelectionEvaluator.hpp.

◆ isDynamic()

bool OpenMD::SelectionEvaluator::isDynamic ( )
inline

Tests if the result from evaluation of script is dynamic.

Definition at line 86 of file SelectionEvaluator.hpp.

Referenced by OpenMD::ForceManager::initialize(), and OpenMD::PotDiff::process().

◆ loadScriptFile()

bool OpenMD::SelectionEvaluator::loadScriptFile ( const std::string & filename)

Definition at line 121 of file SelectionEvaluator.cpp.

◆ loadScriptString()

bool OpenMD::SelectionEvaluator::loadScriptString ( const std::string & script)

Definition at line 116 of file SelectionEvaluator.cpp.

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