00001 /*========================================================================= 00002 00003 Program: Visualization Toolkit 00004 Module: $RCSfile: vtkMoleculeReaderBase.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 =========================================================================*/ 00053 #ifndef __vtkMoleculeReaderBase_h 00054 #define __vtkMoleculeReaderBase_h 00055 00056 #include "vtkPolyDataSource.h" 00057 00058 class vtkCellArray; 00059 class vtkFloatArray; 00060 class vtkDataArray; 00061 class vtkIdTypeArray; 00062 class vtkUnsignedCharArray; 00063 class vtkPoints; 00064 00065 class VTK_IO_EXPORT vtkMoleculeReaderBase : public vtkPolyDataSource 00066 { 00067 public: 00068 vtkTypeRevisionMacro(vtkMoleculeReaderBase,vtkPolyDataSource); 00069 void PrintSelf(ostream& os, vtkIndent indent); 00070 00071 vtkSetStringMacro(FileName); 00072 vtkGetStringMacro(FileName); 00073 00074 vtkSetMacro(BScale, double); 00075 vtkGetMacro(BScale, double); 00076 00077 vtkSetMacro(HBScale, double); 00078 vtkGetMacro(HBScale, double); 00079 00080 vtkGetMacro(NumberOfAtoms, int); 00081 00082 protected: 00083 vtkMoleculeReaderBase(); 00084 ~vtkMoleculeReaderBase(); 00085 00086 char *FileName; 00087 double BScale; 00088 // a scaling factor to compute bonds between non-hydrogen atoms 00089 double HBScale; 00090 // a scaling factor to compute bonds with hydrogen atoms 00091 int NumberOfAtoms; 00092 00093 virtual void Execute(); 00094 int ReadMolecule(FILE *fp); 00095 int MakeAtomType(const char *atype); 00096 int MakeBonds(vtkPoints*, vtkIdTypeArray*, vtkCellArray*); 00097 00098 vtkPoints *Points; 00099 vtkUnsignedCharArray *RGB; 00100 vtkFloatArray *Radii; 00101 vtkIdTypeArray *AtomType; 00102 00103 virtual void ReadSpecificMolecule(FILE* fp) = 0; 00104 00105 private: 00106 vtkMoleculeReaderBase(const vtkMoleculeReaderBase&); // Not implemented. 00107 void operator=(const vtkMoleculeReaderBase&); // Not implemented. 00108 }; 00109 00110 #endif