ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction > Class Template Reference

#include <RangeSwitchingFunction.h>

Inheritance diagram for ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >:

ProtoMol::RangeSwitchingFunctionBase List of all members.

Public Types

enum  { USE = 1 }

Public Member Functions

 RangeSwitchingFunction ()
 RangeSwitchingFunction (const TOriginalSwitchingFunction sw, Real r0, Real r1)
bool roughTest (Real distSquared) const
Real cutoffSquared () const
void operator() (Real &value, Real &derivOverD, Real distSquared) const
Matrix3by3 hessian (const Vector3D &rij, Real distSquared) const
void getParameters (std::vector< Parameter > &parameters) const

Static Public Member Functions

std::string getId ()
unsigned int getParameterSize ()
RangeSwitchingFunction make (std::string &errMsg, std::vector< Value > values)

Private Attributes

TOriginalSwitchingFunction myOrigFunc
Real myR0Squared
Real myR1Squared
Real myR0
Real myR1

Detailed Description

template<class TOriginalSwitchingFunction>
class ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >

Defines a range of a given from a switching function.

Member Enumeration Documentation

template<class TOriginalSwitchingFunction>
anonymous enum
 

Enumeration values:
USE 

Constructor & Destructor Documentation

template<class TOriginalSwitchingFunction>
ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::RangeSwitchingFunction (   )  [inline]
 

template<class TOriginalSwitchingFunction>
ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::RangeSwitchingFunction (  const TOriginalSwitchingFunction  sw,
Real  r0,
Real  r1
)  [inline]
 

Member Function Documentation

template<class TOriginalSwitchingFunction>
Real ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::cutoffSquared (   )  const [inline]
 

template<class TOriginalSwitchingFunction>
std::string ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::getId (   )  [inline, static]
 

template<class TOriginalSwitchingFunction>
void ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::getParameters (  std::vector< Parameter > &  parameters  )  const
 

template<class TOriginalSwitchingFunction>
unsigned int ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::getParameterSize (   )  [inline, static]
 

template<class TOriginalSwitchingFunction>
Matrix3by3 ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::hessian (  const Vector3D &  rij,
Real  distSquared
)  const [inline]
 

template<class TOriginalSwitchingFunction>
RangeSwitchingFunction< TOriginalSwitchingFunction > ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::make (  std::string &  errMsg,
std::vector< Value >  values
)  [static]
 

template<class TOriginalSwitchingFunction>
void ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::operator() (  Real &  value,
Real &  derivOverD,
Real  distSquared
)  const [inline]
 

template<class TOriginalSwitchingFunction>
bool ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::roughTest (  Real  distSquared  )  const [inline]
 

simple and fast test if we should apply the switching function

Member Data Documentation

template<class TOriginalSwitchingFunction>
TOriginalSwitchingFunction ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::myOrigFunc [private]
 

template<class TOriginalSwitchingFunction>
Real ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::myR0 [private]
 

template<class TOriginalSwitchingFunction>
Real ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::myR0Squared [private]
 

template<class TOriginalSwitchingFunction>
Real ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::myR1 [private]
 

template<class TOriginalSwitchingFunction>
Real ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >::myR1Squared [private]
 

The documentation for this class was generated from the following file: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.