00001 /*========================================================================= 00002 00003 Program: Visualization Toolkit 00004 Module: $RCSfile: vtkXYZMolReader.h,v $ 00005 Language: C++ 00006 00007 00008 Copyright (c) 1993-2001 Ken Martin, Will Schroeder, Bill Lorensen 00009 All rights reserved. 00010 00011 Redistribution and use in source and binary forms, with or without 00012 modification, are permitted provided that the following conditions are met: 00013 00014 * Redistributions of source code must retain the above copyright notice, 00015 this list of conditions and the following disclaimer. 00016 00017 * Redistributions in binary form must reproduce the above copyright notice, 00018 this list of conditions and the following disclaimer in the documentation 00019 and/or other materials provided with the distribution. 00020 00021 * Neither name of Ken Martin, Will Schroeder, or Bill Lorensen nor the names 00022 of any contributors may be used to endorse or promote products derived 00023 from this software without specific prior written permission. 00024 00025 * Modified source versions must be plainly marked as such, and must not be 00026 misrepresented as being the original software. 00027 00028 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS ``AS IS'' 00029 AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE 00030 IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE 00031 ARE DISCLAIMED. IN NO EVENT SHALL THE AUTHORS OR CONTRIBUTORS BE LIABLE FOR 00032 ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL 00033 DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR 00034 SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER 00035 CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, 00036 OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE 00037 OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. 00038 00039 =========================================================================*/ 00056 #ifndef __vtkXYZMolReader_h 00057 #define __vtkXYZMolReader_h 00058 00059 #include "vtkMoleculeReaderBase.h" 00060 00061 00062 class VTK_IO_EXPORT vtkXYZMolReader : public vtkMoleculeReaderBase 00063 { 00064 public: 00065 vtkTypeRevisionMacro(vtkXYZMolReader,vtkMoleculeReaderBase); 00066 void PrintSelf(ostream& os, vtkIndent indent); 00067 00068 static vtkXYZMolReader *New(); 00069 00071 virtual int CanReadFile(const char* name); 00072 00074 00076 vtkSetMacro(TimeStep, int); 00077 vtkGetMacro(TimeStep, int); 00079 00081 00082 vtkGetMacro(MaxTimeStep, int); 00084 00085 protected: 00086 vtkXYZMolReader(); 00087 ~vtkXYZMolReader(); 00088 00089 void ReadSpecificMolecule(FILE* fp); 00090 00093 char* GetNextLine(FILE* fp, char* line, int maxlen); 00094 00095 int GetLine1(const char* line, int *cnt); 00096 int GetLine2(const char* line, char *name); 00097 int GetAtom(const char* line, char* atom, float *x); 00098 00099 void InsertAtom(const char* atom, float *pos); 00100 00101 vtkSetMacro(MaxTimeStep, int); 00102 00103 int TimeStep; 00104 int MaxTimeStep; 00105 00106 private: 00107 vtkXYZMolReader(const vtkXYZMolReader&); // Not implemented. 00108 void operator=(const vtkXYZMolReader&); // Not implemented. 00109 }; 00110 00111 #endif