OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::ChebyshevU Class Reference

#include <ChebyshevU.hpp>

Public Member Functions

 ChebyshevU (int maxPower)
 
virtual ~ChebyshevU ()
 
RealType evaluate (int n, RealType x)
 
RealType evaluateDerivative (int n, RealType x)
 
const DoublePolynomialgetChebyshevPolynomial (int n) const
 

Protected Member Functions

void GeneratePolynomials (int maxPower)
 

Protected Attributes

std::vector< DoublePolynomialpolyList_
 

Private Member Functions

void GenerateFirstTwoTerms ()
 

Private Attributes

int maxPower_
 

Detailed Description

A collection of Chebyshev Polynomials.

Todo:
document

Definition at line 65 of file ChebyshevU.hpp.

Constructor & Destructor Documentation

◆ ChebyshevU()

OpenMD::ChebyshevU::ChebyshevU ( int  maxPower)

Definition at line 46 of file ChebyshevU.cpp.

References GeneratePolynomials(), and maxPower_.

◆ ~ChebyshevU()

virtual OpenMD::ChebyshevU::~ChebyshevU ( )
inlinevirtual

Definition at line 68 of file ChebyshevU.hpp.

Member Function Documentation

◆ evaluate()

RealType OpenMD::ChebyshevU::evaluate ( int  n,
RealType  x 
)
inline

Calculates the value of the nth Chebyshev Polynomial evaluated at the given x value.

Returns
The value of the nth Chebyshev Polynomial evaluates at the given x value
Parameters
n
xthe value of the independent variable for the nth Chebyshev Polynomial function

Definition at line 76 of file ChebyshevU.hpp.

References polyList_.

◆ evaluateDerivative()

RealType OpenMD::ChebyshevU::evaluateDerivative ( int  n,
RealType  x 
)
inline

Returns the first derivative of the nth Chebyshev Polynomial.

Returns
the first derivative of the nth Chebyshev Polynomial
Parameters
n
xthe value of the independent variable for the nth Chebyshev Polynomial function

Definition at line 87 of file ChebyshevU.hpp.

References polyList_.

◆ GenerateFirstTwoTerms()

void OpenMD::ChebyshevU::GenerateFirstTwoTerms ( )
private

Definition at line 69 of file ChebyshevU.cpp.

References polyList_, and OpenMD::Polynomial< Real >::setCoefficient().

Referenced by GeneratePolynomials().

◆ GeneratePolynomials()

void OpenMD::ChebyshevU::GeneratePolynomials ( int  maxPower)
protected

◆ getChebyshevPolynomial()

const DoublePolynomial& OpenMD::ChebyshevU::getChebyshevPolynomial ( int  n) const
inline

Returns the nth Chebyshev Polynomial

Returns
the nth Chebyshev Polynomial
Parameters
n

Definition at line 97 of file ChebyshevU.hpp.

References polyList_.

Referenced by OpenMD::CharmmTorsionType::CharmmTorsionType(), and OpenMD::ImproperCosineInversionType::ImproperCosineInversionType().

Member Data Documentation

◆ maxPower_

int OpenMD::ChebyshevU::maxPower_
private

Definition at line 111 of file ChebyshevU.hpp.

Referenced by ChebyshevU().

◆ polyList_

std::vector<DoublePolynomial> OpenMD::ChebyshevU::polyList_
protected

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