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 vtkPolyDataMapper;
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) override;


  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);


  vtkGetMacro(RenderLattice, bool)
  vtkSetMacro(RenderLattice, bool)
  vtkBooleanMacro(RenderLattice, bool)

  enum {
    CovalentRadius = 0,
    VDWRadius,
    UnitRadius,
    CustomArrayRadius
  };


  vtkGetMacro(AtomicRadiusType, int);
  vtkSetMacro(AtomicRadiusType, int);
  const char * GetAtomicRadiusTypeAsString();
  void SetAtomicRadiusTypeToCovalentRadius()
  {
    this->SetAtomicRadiusType(CovalentRadius);
  }
  void SetAtomicRadiusTypeToVDWRadius()
  {
    this->SetAtomicRadiusType(VDWRadius);
  }
  void SetAtomicRadiusTypeToUnitRadius()
  {
    this->SetAtomicRadiusType(UnitRadius);
  }
  void SetAtomicRadiusTypeToCustomArrayRadius()
  {
    this->SetAtomicRadiusType(CustomArrayRadius);
  }


  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);


  vtkGetVector3Macro(LatticeColor, unsigned char)
  vtkSetVector3Macro(LatticeColor, unsigned char)


  virtual void GetSelectedAtomsAndBonds(vtkSelection *selection,
                                        vtkIdTypeArray *atomIds,
                                        vtkIdTypeArray *bondIds);
  virtual void GetSelectedAtoms(vtkSelection *selection,
                                vtkIdTypeArray *atomIds)
  {
    this->GetSelectedAtomsAndBonds(selection, atomIds, nullptr);
  }
  virtual void GetSelectedBonds(vtkSelection *selection,
                                vtkIdTypeArray *bondIds)
  {
    this->GetSelectedAtomsAndBonds(selection, nullptr, bondIds);
  }


  void Render(vtkRenderer *, vtkActor *) override;
  void ReleaseGraphicsResources(vtkWindow *) override;
  double * GetBounds() override;
  void GetBounds(double bounds[6]) override { vtkAbstractMapper3D::GetBounds(bounds); }
  int FillInputPortInformation(int port, vtkInformation* info) override;
  bool GetSupportsSelection() override {return true;}


  vtkGetStringMacro(AtomicRadiusArrayName);
  vtkSetStringMacro(AtomicRadiusArrayName);

protected:
  vtkMoleculeMapper();
  ~vtkMoleculeMapper() override;


  bool RenderAtoms;
  int AtomicRadiusType;
  float AtomicRadiusScaleFactor;
  char* AtomicRadiusArrayName;


  bool RenderBonds;
  int BondColorMode;
  bool UseMultiCylindersForBonds;
  float BondRadius;
  unsigned char BondColor[3];

  bool RenderLattice;

  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;

  unsigned char LatticeColor[3];
  vtkNew<vtkPolyData> LatticePolyData;
  vtkNew<vtkPolyDataMapper> LatticeMapper;
  virtual void UpdateLatticePolyData();

  vtkNew<vtkPeriodicTable> PeriodicTable;

private:
  vtkMoleculeMapper(const vtkMoleculeMapper&) = delete;
  void operator=(const vtkMoleculeMapper&) = delete;
};

#endif