text: /*=========================================================================
  
    Program:   Visualization Toolkit
    Module:    vtkSimpleBondPerceiver.h
  
    Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
    All rights reserved.
    See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
  
       This software is distributed WITHOUT ANY WARRANTY; without even
       the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
       PURPOSE.  See the above copyright notice for more information.
  
  =========================================================================*/
  // .NAME vtkSimpleBondPerceiver - Create a simple guess of a molecule's
  // topology
  
  // .SECTION Description
  
  // vtkSimpleBondPerceiver performs a simple check of all interatomic distances
  // and adds a single bond between atoms that are reasonably close. If the
  // interatomic distance is less than the sum of the two atom's covalent radii
  // plus a tolerance, a single bond is added.
  
  // .SECTION Caveats
  
  // This algorithm does not consider valences, hybridization, aromaticity, or
  // anything other than atomic separations. It will not produce anything other
  // than single bonds.
  
  #ifndef __vtkSimpleBondPerceiver_h
  #define __vtkSimpleBondPerceiver_h
  
  #include "vtkMoleculeAlgorithm.h"
  
  class vtkDataSet;
  class vtkMolecule;
  
  class VTK_CHEMISTRY_EXPORT vtkSimpleBondPerceiver :
      public vtkMoleculeAlgorithm
  {
  public:
    static vtkSimpleBondPerceiver *New();
    vtkTypeMacro(vtkSimpleBondPerceiver,vtkMoleculeAlgorithm);
    void PrintSelf(ostream& os, vtkIndent indent);
  
    // Description:
    // Set/Get the tolerance used in the comparisons. (Default: 0.45)
    vtkSetMacro(Tolerance, float);
    vtkGetMacro(Tolerance, float);
  
  protected:
    vtkSimpleBondPerceiver();
    ~vtkSimpleBondPerceiver();
  
    // Description:
    // This is called by the superclass.
    // This is the method you should override.
    virtual int RequestData(vtkInformation* request,
                            vtkInformationVector** inputVector,
                            vtkInformationVector* outputVector);
  
    float Tolerance;
  
  private:
    vtkSimpleBondPerceiver(const vtkSimpleBondPerceiver&);  // Not implemented.
    void operator=(const vtkSimpleBondPerceiver&);  // Not implemented.
  };
  
  #endif
  