src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H

   1 /*---------------------------------------------------------------------------*\
   2   =========                 |
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   5     \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
   6      \\/     M anipulation  |
   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 Class
  25     Foam::reducedUnits
  26
  27 Description
  28
  29 SourceFiles
  30     reducedUnitsI.H
  31     reducedUnits.C
  32     reducedUnitsIO.C
  33
  34 \*---------------------------------------------------------------------------*/
  35
  36 #ifndef reducedUnits_H
  37 #define reducedUnits_H
  38
  39 #include "scalar.H"
  40 #include "IOdictionary.H"
  41
  42 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  43
  44 namespace Foam
  45 {
  46
  47 /*---------------------------------------------------------------------------*\
  48                          Class reducedUnits Declaration
  49 \*---------------------------------------------------------------------------*/
  50
  51 class reducedUnits
  52 {
  53     // Private data
  54
  55         // Reduced units
  56
  57             // Fundamental values
  58
  59                 scalar refLength_;
  60
  61                 scalar refTime_;
  62
  63                 scalar refMass_;
  64
  65             // Derived values
  66
  67                 scalar refEnergy_;
  68
  69                 scalar refTemp_;
  70
  71                 scalar refForce_;
  72
  73                 scalar refVelocity_;
  74
  75                 scalar refVolume_;
  76
  77                 scalar refPressure_;
  78
  79                scalar refMassDensity_;
  80
  81                 scalar refNumberDensity_;
  82
  83
  84     // Private Member Functions
  85
  86         void calcRefValues();
  87
  88         //- Disallow default bitwise copy construct
  89         reducedUnits(const reducedUnits&);
  90
  91         //- Disallow default bitwise assignment
  92         void operator=(const reducedUnits&);
  93
  94
  95 public:
  96
  97     // Static data members
  98
  99         //- Static data someStaticData
 100         static const scalar kb;
 101
 102
 103     // Constructors
 104
 105         //- Construct with no argument, uses default values:
 106         // length  = 1nm
 107         // mass = 1.660538782eâ27kg (unified atomic mass unit)
 108         // temperature = 1K (therefore, energy = 1*kb)
 109         reducedUnits();
 110
 111         //- Construct from components
 112         reducedUnits
 113         (
 114             scalar refLength,
 115             scalar refTime,
 116             scalar refMass
 117         );
 118
 119         //- Construct from dictionary
 120         reducedUnits(const IOdictionary& reducedUnitsDict);
 121
 122
 123     //- Destructor
 124     ~reducedUnits();
 125
 126
 127     // Member Functions
 128
 129         void setRefValues
 130         (
 131             scalar refLength,
 132             scalar refTime,
 133             scalar refMass
 134         );
 135
 136         void setRefValues(const IOdictionary& reducedUnitsDict);
 137
 138
 139         // Access
 140
 141             inline scalar refLength() const;
 142
 143             inline scalar refTime() const;
 144
 145             inline scalar refMass() const;
 146
 147             inline scalar refTemp() const;
 148
 149             inline scalar refEnergy() const;
 150
 151             inline scalar refForce() const;
 152
 153             inline scalar refVelocity() const;
 154
 155             inline scalar refVolume() const;
 156
 157             inline scalar refPressure() const;
 158
 159             inline scalar refMassDensity() const;
 160
 161             inline scalar refNumberDensity() const;
 162
 163
 164     // IOstream Operators
 165
 166         friend Ostream& operator<<(Ostream&, const reducedUnits&);
 167 };
 168
 169
 170 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 171
 172 } // End namespace Foam
 173
 174 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 175
 176 #include "reducedUnitsI.H"
 177
 178 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 179
 180 #endif
 181
 182 // ************************************************************************* //