rewriting molConfig, renamed to mdInitiaise. Driving all creation of molecules from within moleculeCloud.

applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.H

@@ -0,0 +1,147 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2008 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::molConfig
+
+Description
+
+SourceFiles
+    molConfigI.H
+    molConfig.C
+    molConfigIO.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef molConfig_H
+#define molConfig_H
+
+#include "labelVector.H"
+#include "scalar.H"
+#include "vector.H"
+#include "labelField.H"
+#include "scalarField.H"
+#include "vectorField.H"
+#include "IOField.H"
+#include "EulerCoordinateRotation.H"
+#include "Random.H"
+
+#include "Time.H"
+#include "IOdictionary.H"
+#include "IOstreams.H"
+#include "moleculeCloud.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class molConfig Declaration
+\*---------------------------------------------------------------------------*/
+
+class molConfig
+{
+    // Private data
+
+        const IOdictionary& molConfigDescription_;
+
+        const polyMesh& mesh_;
+
+        DynamicList<word> idList_;
+
+        labelField id_;
+
+        scalarField mass_;
+
+        vectorField positions_;
+
+        labelField cells_;
+
+        vectorField U_;
+
+        vectorField A_;
+
+        labelField tethered_;
+
+        vectorField tetherPositions_;
+
+        label nMol_;
+
+
+public:
+
+    // Constructors
+
+        //- Construct from IOdictionary and mesh
+        molConfig(IOdictionary&, const polyMesh&);
+
+
+    // Destructor
+
+        ~molConfig();
+
+
+    // Member Functions
+
+        void createMolecules();
+
+
+        // Access
+
+            inline const List<word>& molIdList() const;
+
+            inline const labelField& id() const;
+
+            inline const scalarField& mass() const;
+
+            inline const vectorField& positions() const;
+
+            inline const labelField& cells() const;
+
+            inline const vectorField& U() const;
+
+            inline const vectorField& A() const;
+
+            inline const labelField& tethered() const;
+
+            inline const vectorField& tetherPositions() const;
+
+            inline label nMol() const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "molConfigI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //