ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::C2SwitchingFunction Class Reference

#include <C2SwitchingFunction.h>

Inheritance diagram for ProtoMol::C2SwitchingFunction:

ProtoMol::C2SwitchingFunctionBase List of all members.

Public Types

enum  { USE = 1 }

Public Member Functions

 C2SwitchingFunction ()
 C2SwitchingFunction (Real switchon, Real cutoff)
bool roughTest (Real distSquared) const
Real cutoffSquared () const
void operator() (Real &value, Real &deriv, Real distSquared) const
Matrix3by3 hessian (const Vector3D &rij, Real distSquared) const
void getParameters (std::vector< Parameter > &parameters) const

Static Public Member Functions

const std::string & getId ()
unsigned int getParameterSize ()
C2SwitchingFunction make (std::string &errMsg, std::vector< Value > values)

Private Attributes

Real mySwitchon
Real mySwitchon2
Real myCutoff
Real myCutoff2
Real mySwitch1
Real mySwitch2
Real mySwitch3

Detailed Description

The switching function provide C2 continues

Member Enumeration Documentation

anonymous enum
 

Enumeration values:
USE 

Constructor & Destructor Documentation

ProtoMol::C2SwitchingFunction::C2SwitchingFunction (   ) 
 

ProtoMol::C2SwitchingFunction::C2SwitchingFunction (  Real  switchon,
Real  cutoff
) 
 

Member Function Documentation

Real ProtoMol::C2SwitchingFunction::cutoffSquared (   )  const [inline]
 

const std::string& ProtoMol::C2SwitchingFunction::getId (   )  [inline, static]
 

void ProtoMol::C2SwitchingFunction::getParameters (  std::vector< Parameter > &  parameters  )  const
 

unsigned int ProtoMol::C2SwitchingFunction::getParameterSize (   )  [inline, static]
 

Matrix3by3 ProtoMol::C2SwitchingFunction::hessian (  const Vector3D &  rij,
Real  distSquared
)  const
 

C2SwitchingFunction ProtoMol::C2SwitchingFunction::make (  std::string &  errMsg,
std::vector< Value >  values
)  [static]
 

void ProtoMol::C2SwitchingFunction::operator() (  Real &  value,
Real &  deriv,
Real  distSquared
)  const [inline]
 

bool ProtoMol::C2SwitchingFunction::roughTest (  Real  distSquared  )  const [inline]
 

Member Data Documentation

Real ProtoMol::C2SwitchingFunction::myCutoff [private]
 

Real ProtoMol::C2SwitchingFunction::myCutoff2 [private]
 

Real ProtoMol::C2SwitchingFunction::mySwitch1 [private]
 

Real ProtoMol::C2SwitchingFunction::mySwitch2 [private]
 

Real ProtoMol::C2SwitchingFunction::mySwitch3 [private]
 

Real ProtoMol::C2SwitchingFunction::mySwitchon [private]
 

Real ProtoMol::C2SwitchingFunction::mySwitchon2 [private]
 

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