sigmoid.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  |
-------------------------------------------------------------------------------
License
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#include "sigmoid.H"
#include <OpenFOAM/addToRunTimeSelectionTable.H>

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

namespace Foam
{
namespace energyScalingFunctions
{

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

defineTypeNameAndDebug(sigmoid, 0);

addToRunTimeSelectionTable
(
    energyScalingFunction,
    sigmoid,
    dictionary
);


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

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


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

sigmoid::sigmoid
(
    const word& name,
    const dictionary& energyScalingFunctionProperties,
    const pairPotential& pairPot
)
:
    energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
    sigmoidCoeffs_
    (
        energyScalingFunctionProperties.subDict(typeName + "Coeffs")
    ),
    shift_(readScalar(sigmoidCoeffs_.lookup("shift"))),
    scale_(readScalar(sigmoidCoeffs_.lookup("scale")))
{}


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

void sigmoid::scaleEnergy(scalar& e, const scalar r) const
{
    e *= sigmoidScale(r, shift_, scale_);
}


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

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

    sigmoidCoeffs_.lookup("shift") >> shift_;
    sigmoidCoeffs_.lookup("scale") >> shift_;

    return true;
}


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

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

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