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91 lines
2.3 KiB
C
91 lines
2.3 KiB
C
3 weeks ago
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/*=========================================================================
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Program: Visualization Toolkit
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Module: vtkXYZMolReader.h
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Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
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All rights reserved.
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See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
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This software is distributed WITHOUT ANY WARRANTY; without even
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the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
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PURPOSE. See the above copyright notice for more information.
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=========================================================================*/
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/**
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* @class vtkXYZMolReader
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* @brief read Molecular Data files
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*
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* vtkXYZMolReader is a source object that reads Molecule files
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* The FileName must be specified
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*
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* @par Thanks:
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* Dr. Jean M. Favre who developed and contributed this class
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*/
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#ifndef vtkXYZMolReader_h
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#define vtkXYZMolReader_h
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#include "vtkIOGeometryModule.h" // For export macro
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#include "vtkMoleculeReaderBase.h"
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class VTKIOGEOMETRY_EXPORT vtkXYZMolReader : public vtkMoleculeReaderBase
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{
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public:
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vtkTypeMacro(vtkXYZMolReader, vtkMoleculeReaderBase);
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void PrintSelf(ostream& os, vtkIndent indent) override;
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static vtkXYZMolReader* New();
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/**
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* Test whether the file with the given name can be read by this
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* reader.
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*/
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virtual int CanReadFile(const char* name);
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//@{
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/**
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* Set the current time step. It should be greater than 0 and smaller than
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* MaxTimeStep.
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*/
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vtkSetMacro(TimeStep, int);
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vtkGetMacro(TimeStep, int);
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//@}
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//@{
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/**
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* Get the maximum time step.
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*/
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vtkGetMacro(MaxTimeStep, int);
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//@}
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protected:
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vtkXYZMolReader();
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~vtkXYZMolReader() override;
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void ReadSpecificMolecule(FILE* fp) override;
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/**
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* Get next line that is not a comment. It returns the beginning of data on
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* line (skips empty spaces)
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*/
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char* GetNextLine(FILE* fp, char* line, int maxlen);
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int GetLine1(const char* line, int* cnt);
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int GetLine2(const char* line, char* name);
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int GetAtom(const char* line, char* atom, float* x);
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void InsertAtom(const char* atom, float* pos);
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vtkSetMacro(MaxTimeStep, int);
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int TimeStep;
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int MaxTimeStep;
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private:
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vtkXYZMolReader(const vtkXYZMolReader&) = delete;
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void operator=(const vtkXYZMolReader&) = delete;
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};
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#endif
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