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

   1 /*---------------------------------------------------------------------------*\
   2   =========                 |
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   5     \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
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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
  13     the Free Software Foundation, either version 3 of the License, or
  14     (at your 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, see <http://www.gnu.org/licenses/>.
  23
  24 \*---------------------------------------------------------------------------*/
  25
  26 #include "reducedUnits.H"
  27
  28 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
  29
  30 const  Foam::scalar Foam::reducedUnits::kb = 1.3806504e-23;
  31
  32
  33 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
  34
  35 void Foam::reducedUnits::calcRefValues()
  36 {
  37     if
  38     (
  39         refTime_ < VSMALL
  40      || refLength_ < VSMALL
  41      || refMass_ < VSMALL
  42     )
  43     {
  44         FatalErrorIn("Foam::reducedUnits::calcRefValues() ")
  45             << "One of more referencence values too small for floating point "
  46             << "calculation: "
  47             << "refTime_ = " << refTime_
  48             << ", refLength = " << refTemp_
  49             << ", refMass = " << refMass_
  50             << nl << abort(FatalError);
  51     }
  52
  53     refEnergy_ = refLength_*refLength_*refMass_/(refTime_*refTime_);
  54
  55     refTemp_ = refEnergy_ / kb;
  56
  57     refForce_ = refEnergy_/refLength_;
  58
  59     refVelocity_ = Foam::sqrt(refEnergy_/refMass_);
  60
  61     refVolume_ = Foam::pow(refLength_,3.0);
  62
  63     refPressure_ = refEnergy_/refVolume_;
  64
  65     refMassDensity_ = refMass_/refVolume_;
  66
  67     refNumberDensity_ = 1.0/refVolume_;
  68 }
  69
  70
  71 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
  72
  73 Foam::reducedUnits::reducedUnits()
  74 :
  75     refLength_(1e-9),
  76     refTime_(1e-12),
  77     refMass_(1.660538782e-27)
  78 {
  79     calcRefValues();
  80 }
  81
  82
  83 Foam::reducedUnits::reducedUnits
  84 (
  85     scalar refLength,
  86     scalar refTime,
  87     scalar refMass
  88 )
  89 :
  90     refLength_(refLength),
  91     refTime_(refTime),
  92     refMass_(refMass)
  93 {
  94     calcRefValues();
  95 }
  96
  97
  98 Foam::reducedUnits::reducedUnits(const IOdictionary& reducedUnitsDict)
  99 :
 100     refLength_(),
 101     refTime_(),
 102     refMass_()
 103 {
 104     setRefValues(reducedUnitsDict);
 105 }
 106
 107
 108 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 109
 110 Foam::reducedUnits::~reducedUnits()
 111 {}
 112
 113
 114 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 115
 116 void Foam::reducedUnits::setRefValues
 117 (
 118     scalar refLength,
 119     scalar refTime,
 120     scalar refMass
 121 )
 122 {
 123     refLength_ = refLength;
 124
 125     refTime_ = refTime;
 126
 127     refMass_ = refMass;
 128
 129     calcRefValues();
 130 }
 131
 132
 133 void Foam::reducedUnits::setRefValues
 134 (
 135     const IOdictionary& reducedUnitsDict
 136 )
 137 {
 138     refLength_ = readScalar(reducedUnitsDict.lookup("refLength"));
 139
 140     refTime_ = readScalar(reducedUnitsDict.lookup("refTime"));
 141
 142     refMass_  = readScalar(reducedUnitsDict.lookup("refMass"));
 143
 144     calcRefValues();
 145 }
 146
 147
 148 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 149
 150 void Foam::reducedUnits::operator=(const reducedUnits& rhs)
 151 {
 152     // Check for assignment to self
 153     if (this == &rhs)
 154     {
 155         FatalErrorIn
 156         (
 157             "Foam::reducedUnits::operator=(const Foam::reducedUnits&)"
 158         )   << "Attempted assignment to self"
 159             << abort(FatalError);
 160     }
 161 }
 162
 163
 164 // ************************************************************************* //