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/*****************************************************************************
*
* Copyright (c) 2000 - 2010, Lawrence Livermore National Security, LLC
* Produced at the Lawrence Livermore National Laboratory
* LLNL-CODE-400124
* All rights reserved.
*
* This file is part of VisIt. For details, see https://visit.llnl.gov/. The
* full copyright notice is contained in the file COPYRIGHT located at the root
* of the VisIt distribution or at http://www.llnl.gov/visit/copyright.html.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* - Redistributions of source code must retain the above copyright notice,
* this list of conditions and the disclaimer below.
* - Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the disclaimer (as noted below) in the
* documentation and/or other materials provided with the distribution.
* - Neither the name of the LLNS/LLNL nor the names of its contributors may
* be used to endorse or promote products derived from this software without
* specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
* AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
* IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
* ARE DISCLAIMED. IN NO EVENT SHALL LAWRENCE LIVERMORE NATIONAL SECURITY,
* LLC, THE U.S. DEPARTMENT OF ENERGY OR CONTRIBUTORS BE LIABLE FOR ANY
* DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
* DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
* SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
* CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT
* LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY
* OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH
* DAMAGE.
*
*****************************************************************************/
// ************************************************************************* //
// avtCHGCARFileFormat.h //
// ************************************************************************* //
#ifndef AVT_CHGCAR_FILE_FORMAT_H
#define AVT_CHGCAR_FILE_FORMAT_H
#include <avtFileFormatInterface.h>
#include <avtMTSDFileFormat.h>
class vtkDoubleArray;
// ****************************************************************************
// Class: avtCHGCARFileFormat
//
// Purpose:
// Reads in CHGCAR files as a plugin to VisIt.
//
// Programmer: Jeremy Meredith
// Creation: August 29, 2006
//
// Modifications:
// Jeremy Meredith, Fri Apr 20 14:59:53 EDT 2007
// Added a special case where axis-aligned unit cell vectors
// construct a *true* rectilinear grid, not a transformed one.
//
// Jeremy Meredith, Wed Jan 2 14:09:05 EST 2008
// Support multiple concatenated CHGCAR's in a single file; now MTSD.
//
// Jeremy Meredith, Tue Jul 15 15:41:07 EDT 2008
// Added support for automatic domain decomposition.
//
// ****************************************************************************
class avtCHGCARFileFormat : public avtMTSDFileFormat
{
public:
static bool Identify(const std::string&);
static avtFileFormatInterface *CreateInterface(
const char *const *list, int nList, int nBlock);
avtCHGCARFileFormat(const char *filename);
virtual ~avtCHGCARFileFormat() {;};
virtual int GetNTimesteps(void);
virtual const char *GetType(void) { return "CHGCAR"; };
virtual void FreeUpResources(void);
virtual vtkDataSet *GetMesh(int, const char *);
virtual vtkDataArray *GetVar(int, const char *);
virtual vtkDataArray *GetVectorVar(int, const char *);
protected:
virtual void PopulateDatabaseMetaData(avtDatabaseMetaData *);
std::vector<istream::pos_type> file_positions;
int globalZDims[3];
int globalNDims[3];
int domainCount[3];
int domainIndex[3];
int domainGlobalStart[3];
int domainGlobalCount[3];
int localRealStart[3];
int localRealCount[3];
double unitCell[3][3];
bool is_rectilinear;
ifstream in;
std::string filename;
bool metadata_read;
int values_read;
int values_per_line;
vtkDoubleArray *values;
int ntimesteps;
int natoms;
void OpenFileAtBeginning();
void ReadAllMetaData();
void ReadValues(int);
void AddGhostCellInfo(vtkDataSet *ds);
void DoDomainDecomposition();
};
#endif
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