144 lines
4.2 KiB
C
144 lines
4.2 KiB
C
/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration |
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\\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
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\\/ M anipulation |
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-------------------------------------------------------------------------------
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License
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This file is part of OpenFOAM.
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OpenFOAM is free software: you can redistribute it and/or modify it
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under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
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FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License
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along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
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\*---------------------------------------------------------------------------*/
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#include "Particle.H"
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#include "dictionary.H"
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#include "scalarList.H"
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#include "constants.H"
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// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
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// const dataType Foam::Particle::staticData();
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//- Universal gas constant (default in [J/(kmol K)])
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const Foam::scalar Foam::Particle::RR = constant::physicoChemical::R.value()*1000;
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//- Elementary charge (default in [C])
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const Foam::scalar Foam::Particle::e = constant::electromagnetic::e.value();
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//- Avogadro number (default in [1/mol])
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const Foam::scalar Foam::Particle::NA = constant::physicoChemical::NA.value()*1000;
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//- Boltzmann constant (default in [J/K])
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const Foam::scalar Foam::Particle::k = constant::physicoChemical::k.value();
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//- 1 Angstom in meter
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const Foam::scalar Foam::Particle::Angstrom = 1e-10;
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//- 1 Debye in [ Coulomb x meter ]
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const Foam::scalar Foam::Particle::Debye = 1.0 / 2.99792458e29;
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//- Boltzmann constant (default in [J/K])
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const Foam::scalar Foam::Particle::pi = constant::mathematical::pi;
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// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
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// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
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// * * * * * * * * * * * * Protected Member Functions * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
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Foam::Particle::Particle(const dictionary& dict)
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:
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name_(dict["name"]),
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W_(readScalar(dict["W"])),
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z_(readScalar(dict["z"]))
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{
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label geometry (dict.lookupOrDefault("geometry", 0));
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const entry* entryPtr = dict.lookupEntryPtr("tranlib", false, true);
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if (entryPtr)
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{
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scalarList tranlib(entryPtr->stream());
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geometry = tranlib[0];
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}
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switch(geometry)
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{
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case 0:
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geometry_ = Geometry::ATOM;
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break;
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case 1:
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geometry_ = Geometry::LINEAR;
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break;
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case 2:
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geometry_ = Geometry::NONLINEAR;
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break;
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default:
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FatalErrorInFunction
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<< "Illegal molecule geometry type. 0, 1 and 2 are allowed."
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<< abort(FatalError);
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}
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}
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// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
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Foam::Particle::~Particle()
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{}
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// * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * * //
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void Foam::Particle::operator=(const Particle& rhs)
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{
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// Check for assignment to self
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if (this == &rhs)
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{
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FatalErrorInFunction
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<< "Attempted assignment to self"
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<< abort(FatalError);
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}
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}
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// * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * * //
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Foam::Ostream& Foam::operator<<(Ostream& os, const Particle& st)
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{
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os << st.name_ << tab
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<< st.W_ << tab
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<< st.z_ << tab
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<< st.geometry_;
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os.check("Ostream& operator<<(Ostream& os, const specie& st)");
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return os;
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}
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// ************************************************************************* //
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