src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C

   1 /*---------------------------------------------------------------------------*\
   2   =========                 |
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   4    \\    /   O peration     |
   5     \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
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   7 -------------------------------------------------------------------------------
   8 License
   9     This file is part of OpenFOAM.
  10
  11     OpenFOAM is free software; you can redistribute it and/or modify it
  12     under the terms of the GNU General Public License as published by the
  13     Free Software Foundation; either version 2 of the License, or (at your
  14     option) any later version.
  15
  16     OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
  17     ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
  18     FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
  19     for more details.
  20
  21     You should have received a copy of the GNU General Public License
  22     along with OpenFOAM; if not, write to the Free Software Foundation,
  23     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
  24
  25 \*---------------------------------------------------------------------------*/
  26
  27 #include "reducedUnits.H"
  28
  29 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
  30
  31 const  Foam::scalar Foam::reducedUnits::kb = 1.3806504e-23;
  32
  33
  34 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
  35
  36 void Foam::reducedUnits::calcRefValues()
  37 {
  38     if
  39     (
  40         refTime_ < VSMALL
  41      || refLength_ < VSMALL
  42      || refMass_ < VSMALL
  43     )
  44     {
  45         FatalErrorIn("Foam::reducedUnits::calcRefValues() ")
  46             << "One of more referencence values too small for floating point "
  47             << "calculation: "
  48             << "refTime_ = " << refTime_
  49             << ", refLength = " << refTemp_
  50             << ", refMass = " << refMass_
  51             << nl << abort(FatalError);
  52     }
  53
  54     refEnergy_ = refLength_*refLength_*refMass_/(refTime_*refTime_);
  55
  56     refTemp_ = refEnergy_ / kb;
  57
  58     refForce_ = refEnergy_/refLength_;
  59
  60     refVelocity_ = Foam::sqrt(refEnergy_/refMass_);
  61
  62     refVolume_ = Foam::pow(refLength_,3.0);
  63
  64     refPressure_ = refEnergy_/refVolume_;
  65
  66     refMassDensity_ = refMass_/refVolume_;
  67
  68     refNumberDensity_ = 1.0/refVolume_;
  69 }
  70
  71
  72 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
  73
  74 Foam::reducedUnits::reducedUnits()
  75 :
  76     refLength_(1e-9),
  77     refTime_(1e-12),
  78     refMass_(1.660538782e-27)
  79 {
  80     calcRefValues();
  81 }
  82
  83
  84 Foam::reducedUnits::reducedUnits
  85 (
  86     scalar refLength,
  87     scalar refTime,
  88     scalar refMass
  89 )
  90 :
  91     refLength_(refLength),
  92     refTime_(refTime),
  93     refMass_(refMass)
  94 {
  95     calcRefValues();
  96 }
  97
  98
  99 Foam::reducedUnits::reducedUnits(const IOdictionary& reducedUnitsDict)
 100 :
 101     refLength_(),
 102     refTime_(),
 103     refMass_()
 104 {
 105     setRefValues(reducedUnitsDict);
 106 }
 107
 108
 109 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 110
 111 Foam::reducedUnits::~reducedUnits()
 112 {}
 113
 114
 115 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 116
 117 void Foam::reducedUnits::setRefValues
 118 (
 119     scalar refLength,
 120     scalar refTime,
 121     scalar refMass
 122 )
 123 {
 124     refLength_ = refLength;
 125
 126     refTime_ = refTime;
 127
 128     refMass_ = refMass;
 129
 130     calcRefValues();
 131 }
 132
 133
 134 void Foam::reducedUnits::setRefValues
 135 (
 136     const IOdictionary& reducedUnitsDict
 137 )
 138 {
 139     refLength_ = readScalar(reducedUnitsDict.lookup("refLength"));
 140
 141     refTime_ = readScalar(reducedUnitsDict.lookup("refTime"));
 142
 143     refMass_  = readScalar(reducedUnitsDict.lookup("refMass"));
 144
 145     calcRefValues();
 146 }
 147
 148
 149 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 150
 151 void Foam::reducedUnits::operator=(const reducedUnits& rhs)
 152 {
 153     // Check for assignment to self
 154     if (this == &rhs)
 155     {
 156         FatalErrorIn
 157         (
 158             "Foam::reducedUnits::operator=(const Foam::reducedUnits&)"
 159         )   << "Attempted assignment to self"
 160             << abort(FatalError);
 161     }
 162 }
 163
 164
 165 // ************************************************************************* //