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

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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 Class
  26     Foam::reducedUnits
  27
  28 Description
  29
  30 SourceFiles
  31     reducedUnitsI.H
  32     reducedUnits.C
  33     reducedUnitsIO.C
  34
  35 \*---------------------------------------------------------------------------*/
  36
  37 #ifndef reducedUnits_H
  38 #define reducedUnits_H
  39
  40 #include "scalar.H"
  41 #include "IOdictionary.H"
  42
  43 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
  44
  45 namespace Foam
  46 {
  47
  48 /*---------------------------------------------------------------------------*\
  49                            Class reducedUnits Declaration
  50 \*---------------------------------------------------------------------------*/
  51
  52 class reducedUnits
  53 {
  54     // Private data
  55
  56         // Reduced units
  57
  58             // Fundamental values
  59
  60                 scalar refLength_;
  61
  62                 scalar refTime_;
  63
  64                 scalar refMass_;
  65
  66             // Derived values
  67
  68                 scalar refEnergy_;
  69
  70                 scalar refTemp_;
  71
  72                 scalar refForce_;
  73
  74                 scalar refVelocity_;
  75
  76                 scalar refVolume_;
  77
  78                 scalar refPressure_;
  79
  80                scalar refMassDensity_;
  81
  82                 scalar refNumberDensity_;
  83
  84
  85     // Private Member Functions
  86
  87         void calcRefValues();
  88
  89         //- Disallow default bitwise copy construct
  90         reducedUnits(const reducedUnits&);
  91
  92         //- Disallow default bitwise assignment
  93         void operator=(const reducedUnits&);
  94
  95
  96 public:
  97
  98     // Static data members
  99
 100         //- Static data someStaticData
 101         static const scalar kb;
 102
 103
 104     // Constructors
 105
 106         //- Construct with no argument, uses default values:
 107         // length  = 1nm
 108         // mass = 1.660538782eâ27kg (unified atomic mass unit)
 109         // temperature = 1K (therefore, energy = 1*kb)
 110         reducedUnits();
 111
 112         //- Construct from components
 113         reducedUnits
 114         (
 115             scalar refLength,
 116             scalar refTime,
 117             scalar refMass
 118         );
 119
 120         //- Construct from dictionary
 121         reducedUnits(const IOdictionary& reducedUnitsDict);
 122
 123
 124     // Destructor
 125
 126         ~reducedUnits();
 127
 128
 129     // Member Functions
 130
 131         void setRefValues
 132         (
 133             scalar refLength,
 134             scalar refTime,
 135             scalar refMass
 136         );
 137
 138         void setRefValues(const IOdictionary& reducedUnitsDict);
 139
 140
 141         // Access
 142
 143             inline scalar refLength() const;
 144
 145             inline scalar refTime() const;
 146
 147             inline scalar refMass() const;
 148
 149             inline scalar refTemp() const;
 150
 151             inline scalar refEnergy() const;
 152
 153             inline scalar refForce() const;
 154
 155             inline scalar refVelocity() const;
 156
 157             inline scalar refVolume() const;
 158
 159             inline scalar refPressure() const;
 160
 161             inline scalar refMassDensity() const;
 162
 163             inline scalar refNumberDensity() const;
 164
 165
 166     // IOstream Operators
 167
 168         friend Ostream& operator<<(Ostream&, const reducedUnits&);
 169 };
 170
 171
 172 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 173
 174 } // End namespace Foam
 175
 176 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 177
 178 #include "reducedUnitsI.H"
 179
 180 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 181
 182 #endif
 183
 184 // ************************************************************************* //