doubleSigmoid.C

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/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     |
    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
     \\/     M anipulation  |
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License
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#include "doubleSigmoid.H"
#include <OpenFOAM/addToRunTimeSelectionTable.H>

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

namespace Foam
{
namespace energyScalingFunctions
{

// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //

defineTypeNameAndDebug(doubleSigmoid, 0);

addToRunTimeSelectionTable
(
    energyScalingFunction,
    doubleSigmoid,
    dictionary
);

// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //

scalar doubleSigmoid::sigmoidScale
    (
        const scalar r,
        const scalar shift,
        const scalar scale
    ) const
{
    return 1.0 / (1.0 + exp( scale * (r - shift)));
}


// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //

doubleSigmoid::doubleSigmoid
(
    const word& name,
    const dictionary& energyScalingFunctionProperties,
    const pairPotential& pairPot
)
:
    energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
    doubleSigmoidCoeffs_
    (
        energyScalingFunctionProperties.subDict(typeName + "Coeffs")
    ),
    shift1_(readScalar(doubleSigmoidCoeffs_.lookup("shift1"))),
    scale1_(readScalar(doubleSigmoidCoeffs_.lookup("scale1"))),
    shift2_(readScalar(doubleSigmoidCoeffs_.lookup("shift2"))),
    scale2_(readScalar(doubleSigmoidCoeffs_.lookup("scale2")))
{}


// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //

void doubleSigmoid::scaleEnergy(scalar& e, const scalar r) const
{
    e *= sigmoidScale(r, shift1_, scale1_) * sigmoidScale(r, shift2_, scale2_);
}


bool doubleSigmoid::read(const dictionary& energyScalingFunctionProperties)
{
    energyScalingFunction::read(energyScalingFunctionProperties);

    doubleSigmoidCoeffs_ =
        energyScalingFunctionProperties.subDict(typeName + "Coeffs");

    doubleSigmoidCoeffs_.lookup("shift1") >> shift1_;
    doubleSigmoidCoeffs_.lookup("scale1") >> scale1_;
    doubleSigmoidCoeffs_.lookup("shift2") >> shift2_;
    doubleSigmoidCoeffs_.lookup("scale2") >> scale2_;

    return true;
}


// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

} // End namespace energyScalingFunctions
} // End namespace Foam

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