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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.
*
*****************************************************************************/
// ************************************************************************* //
// avtPOSCARFileFormat.h //
// ************************************************************************* //
#ifndef AVT_POSCAR_FILE_FORMAT_H
#define AVT_POSCAR_FILE_FORMAT_H
#include <avtFileFormatInterface.h>
#include <avtSTSDFileFormat.h>
// ****************************************************************************
// Class: avtPOSCARFileFormat
//
// Purpose:
// Reads in POSCAR files as a plugin to VisIt.
//
// Programmer: Jeremy Meredith
// Creation: January 8, 2008
//
// Modifications:
//
// ****************************************************************************
class avtPOSCARFileFormat : public avtSTSDFileFormat
{
public:
static bool Identify(const std::string&);
static avtFileFormatInterface *CreateInterface(
const char *const *list, int nList, int nBlock);
avtPOSCARFileFormat(const char *filename);
virtual ~avtPOSCARFileFormat() {;};
virtual const char *GetType(void) { return "POSCAR"; };
virtual void FreeUpResources(void);
virtual vtkDataSet *GetMesh(const char *);
virtual vtkDataArray *GetVar(const char *);
virtual vtkDataArray *GetVectorVar(const char *);
protected:
virtual void PopulateDatabaseMetaData(avtDatabaseMetaData *);
std::vector<istream::pos_type> file_positions;
double unitCell[3][3];
ifstream in;
std::string filename;
bool file_read;
int natoms;
std::vector<float> x;
std::vector<float> y;
std::vector<float> z;
std::vector<int> species;
std::vector<int> cx;
std::vector<int> cy;
std::vector<int> cz;
std::vector<int> species_counts;
std::vector<int> element_map;
void OpenFileAtBeginning();
void ReadFile();
};
#endif
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