vtkMoleculeMapper.h

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/*=========================================================================
 
  Program:   Visualization Toolkit
  Module:    vtkMoleculeMapper.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.
 
=========================================================================*/
#ifndef vtkMoleculeMapper_h
#define vtkMoleculeMapper_h
 
#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkMapper.h"
#include "vtkNew.h" // For vtkNew
 
class vtkActor;
class vtkGlyph3DMapper;
class vtkIdTypeArray;
class vtkMolecule;
class vtkPeriodicTable;
class vtkPolyData;
class vtkRenderer;
class vtkSelection;
class vtkSphereSource;
class vtkTrivialProducer;
 
class VTKDOMAINSCHEMISTRY_EXPORT vtkMoleculeMapper : public vtkMapper
{
public:
  static vtkMoleculeMapper *New();
  vtkTypeMacro(vtkMoleculeMapper,vtkMapper);
  void PrintSelf(ostream& os, vtkIndent indent);
 
 
  void SetInputData(vtkMolecule *in);
  vtkMolecule *GetInput();
 
  void UseBallAndStickSettings();
 
  void UseVDWSpheresSettings();
 
  void UseLiquoriceStickSettings();
 
  void UseFastSettings();
 
 
  vtkGetMacro(RenderAtoms, bool);
  vtkSetMacro(RenderAtoms, bool);
  vtkBooleanMacro(RenderAtoms, bool);
 
 
  vtkGetMacro(RenderBonds, bool);
  vtkSetMacro(RenderBonds, bool);
  vtkBooleanMacro(RenderBonds, bool);
 
  enum {
    CovalentRadius = 0,
    VDWRadius,
    UnitRadius
  };
 
 
  vtkGetMacro(AtomicRadiusType, int);
  vtkSetMacro(AtomicRadiusType, int);
  const char * GetAtomicRadiusTypeAsString();
  void SetAtomicRadiusTypeToCovalentRadius()
  {
    this->SetAtomicRadiusType(CovalentRadius);
  }
  void SetAtomicRadiusTypeToVDWRadius()
  {
    this->SetAtomicRadiusType(VDWRadius);
  }
  void SetAtomicRadiusTypeToUnitRadius()
  {
    this->SetAtomicRadiusType(UnitRadius);
  }
 
 
  vtkGetMacro(AtomicRadiusScaleFactor, float);
  vtkSetMacro(AtomicRadiusScaleFactor, float);
 
 
  vtkGetMacro(UseMultiCylindersForBonds, bool);
  vtkSetMacro(UseMultiCylindersForBonds, bool);
  vtkBooleanMacro(UseMultiCylindersForBonds, bool);
 
  enum {
    SingleColor = 0,
    DiscreteByAtom
  };
 
 
  vtkGetMacro(BondColorMode, int);
  vtkSetMacro(BondColorMode, int);
  const char * GetBondColorModeAsString();
  void SetBondColorModeToSingleColor()
  {
    this->SetBondColorMode(SingleColor);
  }
  void SetBondColorModeToDiscreteByAtom()
  {
    this->SetBondColorMode(DiscreteByAtom);
  }
 
 
  vtkGetVector3Macro(BondColor, unsigned char);
  vtkSetVector3Macro(BondColor, unsigned char);
 
 
  vtkGetMacro(BondRadius, float);
  vtkSetMacro(BondRadius, float);
 
 
  virtual void GetSelectedAtomsAndBonds(vtkSelection *selection,
                                        vtkIdTypeArray *atomIds,
                                        vtkIdTypeArray *bondIds);
  virtual void GetSelectedAtoms(vtkSelection *selection,
                                vtkIdTypeArray *atomIds)
  {
    this->GetSelectedAtomsAndBonds(selection, atomIds, NULL);
  }
  virtual void GetSelectedBonds(vtkSelection *selection,
                                vtkIdTypeArray *bondIds)
  {
    this->GetSelectedAtomsAndBonds(selection, NULL, bondIds);
  }
 
 
  virtual void Render(vtkRenderer *, vtkActor *);
  virtual void ReleaseGraphicsResources(vtkWindow *);
  double * GetBounds();
  void GetBounds(double bounds[6]) { vtkAbstractMapper3D::GetBounds(bounds); }
  virtual int FillInputPortInformation(int port, vtkInformation* info);
  virtual bool GetSupportsSelection() {return true;}
 
protected:
  vtkMoleculeMapper();
  ~vtkMoleculeMapper();
 
 
  bool RenderAtoms;
  int AtomicRadiusType;
  float AtomicRadiusScaleFactor;
 
 
  bool RenderBonds;
  int BondColorMode;
  bool UseMultiCylindersForBonds;
  float BondRadius;
  unsigned char BondColor[3];
 
  void GlyphRender(vtkRenderer *ren, vtkActor *act);
 
 
  vtkNew<vtkPolyData> AtomGlyphPolyData;
  vtkNew<vtkTrivialProducer> AtomGlyphPointOutput;
  vtkNew<vtkPolyData> BondGlyphPolyData;
  vtkNew<vtkTrivialProducer> BondGlyphPointOutput;
  bool GlyphDataInitialized;
  virtual void UpdateGlyphPolyData();
  virtual void UpdateAtomGlyphPolyData();
  virtual void UpdateBondGlyphPolyData();
 
 
  vtkNew<vtkGlyph3DMapper> AtomGlyphMapper;
  vtkNew<vtkGlyph3DMapper> BondGlyphMapper;
 
  vtkNew<vtkPeriodicTable> PeriodicTable;
 
private:
  vtkMoleculeMapper(const vtkMoleculeMapper&);  // Not implemented.
  void operator=(const vtkMoleculeMapper&);  // Not implemented.
};
 
#endif