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vtkMoleculeMapper Class Reference

Mapper that draws vtkMolecule objects. More...

#include <vtkMoleculeMapper.h>

Inherits vtkMapper.

Public Types

enum  { CovalentRadius = 0, VDWRadius, UnitRadius }
 
enum  { SingleColor = 0, DiscreteByAtom }
 
typedef vtkMapper Superclass
 

Public Member Functions

virtual int IsA (const char *type)
 
vtkMoleculeMapperNewInstance () const
 
void PrintSelf (ostream &os, vtkIndent indent)
 
void UseBallAndStickSettings ()
 
void UseVDWSpheresSettings ()
 
void UseLiquoriceStickSettings ()
 
void UseFastSettings ()
 
void SetInputData (vtkMolecule *in)
 
vtkMolecule * GetInput ()
 
virtual bool GetRenderAtoms ()
 
virtual void SetRenderAtoms (bool)
 
virtual void RenderAtomsOn ()
 
virtual void RenderAtomsOff ()
 
virtual bool GetRenderBonds ()
 
virtual void SetRenderBonds (bool)
 
virtual void RenderBondsOn ()
 
virtual void RenderBondsOff ()
 
virtual int GetAtomicRadiusType ()
 
virtual void SetAtomicRadiusType (int)
 
const char * GetAtomicRadiusTypeAsString ()
 
void SetAtomicRadiusTypeToCovalentRadius ()
 
void SetAtomicRadiusTypeToVDWRadius ()
 
void SetAtomicRadiusTypeToUnitRadius ()
 
virtual float GetAtomicRadiusScaleFactor ()
 
virtual void SetAtomicRadiusScaleFactor (float)
 
virtual bool GetUseMultiCylindersForBonds ()
 
virtual void SetUseMultiCylindersForBonds (bool)
 
virtual void UseMultiCylindersForBondsOn ()
 
virtual void UseMultiCylindersForBondsOff ()
 
virtual int GetBondColorMode ()
 
virtual void SetBondColorMode (int)
 
const char * GetBondColorModeAsString ()
 
void SetBondColorModeToSingleColor ()
 
void SetBondColorModeToDiscreteByAtom ()
 
virtual unsigned char * GetBondColor ()
 
virtual void GetBondColor (unsigned char &, unsigned char &, unsigned char &)
 
virtual void GetBondColor (unsigned char[3])
 
virtual void SetBondColor (unsigned char, unsigned char, unsigned char)
 
virtual void SetBondColor (unsigned char[3])
 
virtual float GetBondRadius ()
 
virtual void SetBondRadius (float)
 
virtual void GetSelectedAtomsAndBonds (vtkSelection *selection, vtkIdTypeArray *atomIds, vtkIdTypeArray *bondIds)
 
virtual void GetSelectedAtoms (vtkSelection *selection, vtkIdTypeArray *atomIds)
 
virtual void GetSelectedBonds (vtkSelection *selection, vtkIdTypeArray *bondIds)
 
virtual void Render (vtkRenderer *, vtkActor *)
 
virtual void ReleaseGraphicsResources (vtkWindow *)
 
double * GetBounds ()
 
void GetBounds (double bounds[6])
 
virtual int FillInputPortInformation (int port, vtkInformation *info)
 
virtual bool GetSupportsSelection ()
 

Static Public Member Functions

static vtkMoleculeMapperNew ()
 
static int IsTypeOf (const char *type)
 
static vtkMoleculeMapperSafeDownCast (vtkObjectBase *o)
 

Protected Member Functions

virtual vtkObjectBase * NewInstanceInternal () const
 
 vtkMoleculeMapper ()
 
 ~vtkMoleculeMapper ()
 
void GlyphRender (vtkRenderer *ren, vtkActor *act)
 

Protected Attributes

vtkNew< vtkPeriodicTablePeriodicTable
 
bool RenderAtoms
 
int AtomicRadiusType
 
float AtomicRadiusScaleFactor
 
bool RenderBonds
 
int BondColorMode
 
bool UseMultiCylindersForBonds
 
float BondRadius
 
unsigned char BondColor [3]
 
vtkNew< vtkGlyph3DMapper > AtomGlyphMapper
 
vtkNew< vtkGlyph3DMapper > BondGlyphMapper
 
vtkNew< vtkPolyData > AtomGlyphPolyData
 
vtkNew< vtkTrivialProducer > AtomGlyphPointOutput
 
vtkNew< vtkPolyData > BondGlyphPolyData
 
vtkNew< vtkTrivialProducer > BondGlyphPointOutput
 
bool GlyphDataInitialized
 
void UpdateGlyphPolyData ()
 
void UpdateAtomGlyphPolyData ()
 
void UpdateBondGlyphPolyData ()
 

Detailed Description

Mapper that draws vtkMolecule objects.

vtkMoleculeMapper uses glyphs (display lists) to quickly render a molecule.

Tests:
vtkMoleculeMapper (Tests)

Definition at line 44 of file vtkMoleculeMapper.h.

Member Typedef Documentation

typedef vtkMapper vtkMoleculeMapper::Superclass

Definition at line 48 of file vtkMoleculeMapper.h.

Member Enumeration Documentation

anonymous enum
Enumerator
CovalentRadius 
VDWRadius 
UnitRadius 

Definition at line 101 of file vtkMoleculeMapper.h.

anonymous enum
Enumerator
SingleColor 
DiscreteByAtom 

Definition at line 142 of file vtkMoleculeMapper.h.

Constructor & Destructor Documentation

vtkMoleculeMapper::vtkMoleculeMapper ( )
protected
vtkMoleculeMapper::~vtkMoleculeMapper ( )
protected

Member Function Documentation

static vtkMoleculeMapper* vtkMoleculeMapper::New ( )
static
static int vtkMoleculeMapper::IsTypeOf ( const char *  type)
static
virtual int vtkMoleculeMapper::IsA ( const char *  type)
virtual
static vtkMoleculeMapper* vtkMoleculeMapper::SafeDownCast ( vtkObjectBase *  o)
static
virtual vtkObjectBase* vtkMoleculeMapper::NewInstanceInternal ( ) const
protectedvirtual
vtkMoleculeMapper* vtkMoleculeMapper::NewInstance ( ) const
void vtkMoleculeMapper::PrintSelf ( ostream &  os,
vtkIndent  indent 
)
void vtkMoleculeMapper::SetInputData ( vtkMolecule *  in)

Get/Set the input vtkMolecule.

vtkMolecule* vtkMoleculeMapper::GetInput ( )

Get/Set the input vtkMolecule.

void vtkMoleculeMapper::UseBallAndStickSettings ( )

Set ivars to default ball-and-stick settings. This is equivalent to the following: - SetRenderAtoms( true ) - SetRenderBonds( true ) - SetAtomicRadiusType( VDWRadius ) - SetAtomicRadiusScaleFactor( 0.3 )

  • SetBondColorMode( DiscreteByAtom ) - SetUseMultiCylindersForBonds( true ) - SetBondRadius( 0.075 )
void vtkMoleculeMapper::UseVDWSpheresSettings ( )

Set ivars to default van der Waals spheres settings. This is equivalent to the following: - SetRenderAtoms( true ) - SetRenderBonds( true ) - SetAtomicRadiusType( VDWRadius ) - SetAtomicRadiusScaleFactor( 1.0 ) - SetBondColorMode( DiscreteByAtom ) - SetUseMultiCylindersForBonds( true ) - SetBondRadius( 0.075 )

void vtkMoleculeMapper::UseLiquoriceStickSettings ( )

Set ivars to default liquorice stick settings. This is equivalent to the following: - SetRenderAtoms( true ) - SetRenderBonds( true ) - SetAtomicRadiusType( UnitRadius ) - SetAtomicRadiusScaleFactor( 0.1 )

  • SetBondColorMode( DiscreteByAtom ) - SetUseMultiCylindersForBonds( false ) - SetBondRadius( 0.1 )
void vtkMoleculeMapper::UseFastSettings ( )

Set ivars to use fast settings that may be useful for rendering extremely large molecules where the overall shape is more important than the details of the atoms/bond. This is equivalent to the following: - SetRenderAtoms( true ) - SetRenderBonds( true ) - SetAtomicRadiusType( UnitRadius ) - SetAtomicRadiusScaleFactor( 0.60 ) - SetBondColorMode( SingleColor ) - SetBondColor( 50, 50, 50 ) - SetUseMultiCylindersForBonds( false ) - SetBondRadius( 0.075 )

virtual bool vtkMoleculeMapper::GetRenderAtoms ( )
virtual

Get/Set whether or not to render atoms. Default: On.

virtual void vtkMoleculeMapper::SetRenderAtoms ( bool  )
virtual

Get/Set whether or not to render atoms. Default: On.

virtual void vtkMoleculeMapper::RenderAtomsOn ( )
virtual

Get/Set whether or not to render atoms. Default: On.

virtual void vtkMoleculeMapper::RenderAtomsOff ( )
virtual

Get/Set whether or not to render atoms. Default: On.

virtual bool vtkMoleculeMapper::GetRenderBonds ( )
virtual

Get/Set whether or not to render bonds. Default: On.

virtual void vtkMoleculeMapper::SetRenderBonds ( bool  )
virtual

Get/Set whether or not to render bonds. Default: On.

virtual void vtkMoleculeMapper::RenderBondsOn ( )
virtual

Get/Set whether or not to render bonds. Default: On.

virtual void vtkMoleculeMapper::RenderBondsOff ( )
virtual

Get/Set whether or not to render bonds. Default: On.

virtual int vtkMoleculeMapper::GetAtomicRadiusType ( )
virtual

Get/Set the type of radius used to generate the atoms. Default: VDWRadius.

virtual void vtkMoleculeMapper::SetAtomicRadiusType ( int  )
virtual

Get/Set the type of radius used to generate the atoms. Default: VDWRadius.

const char* vtkMoleculeMapper::GetAtomicRadiusTypeAsString ( )

Get/Set the type of radius used to generate the atoms. Default: VDWRadius.

void vtkMoleculeMapper::SetAtomicRadiusTypeToCovalentRadius ( )
inline

Get/Set the type of radius used to generate the atoms. Default: VDWRadius.

Definition at line 113 of file vtkMoleculeMapper.h.

void vtkMoleculeMapper::SetAtomicRadiusTypeToVDWRadius ( )
inline

Get/Set the type of radius used to generate the atoms. Default: VDWRadius.

Definition at line 117 of file vtkMoleculeMapper.h.

void vtkMoleculeMapper::SetAtomicRadiusTypeToUnitRadius ( )
inline

Get/Set the type of radius used to generate the atoms. Default: VDWRadius.

Definition at line 121 of file vtkMoleculeMapper.h.

virtual float vtkMoleculeMapper::GetAtomicRadiusScaleFactor ( )
virtual

Get/Set the uniform scaling factor applied to the atoms. Default: 0.3.

virtual void vtkMoleculeMapper::SetAtomicRadiusScaleFactor ( float  )
virtual

Get/Set the uniform scaling factor applied to the atoms. Default: 0.3.

virtual bool vtkMoleculeMapper::GetUseMultiCylindersForBonds ( )
virtual

Get/Set whether multicylinders will be used to represent multiple bonds. Default: On.

virtual void vtkMoleculeMapper::SetUseMultiCylindersForBonds ( bool  )
virtual

Get/Set whether multicylinders will be used to represent multiple bonds. Default: On.

virtual void vtkMoleculeMapper::UseMultiCylindersForBondsOn ( )
virtual

Get/Set whether multicylinders will be used to represent multiple bonds. Default: On.

virtual void vtkMoleculeMapper::UseMultiCylindersForBondsOff ( )
virtual

Get/Set whether multicylinders will be used to represent multiple bonds. Default: On.

virtual int vtkMoleculeMapper::GetBondColorMode ( )
virtual

Get/Set the method by which bonds are colored. If 'SingleColor' is used, all bonds will be the same color. Use SetBondColor to set the rgb values used. If 'DiscreteByAtom' is selected, each bond is colored using the same lookup table as the atoms at each end, with a sharp color boundary at the bond center.

virtual void vtkMoleculeMapper::SetBondColorMode ( int  )
virtual

Get/Set the method by which bonds are colored. If 'SingleColor' is used, all bonds will be the same color. Use SetBondColor to set the rgb values used. If 'DiscreteByAtom' is selected, each bond is colored using the same lookup table as the atoms at each end, with a sharp color boundary at the bond center.

const char* vtkMoleculeMapper::GetBondColorModeAsString ( )

Get/Set the method by which bonds are colored. If 'SingleColor' is used, all bonds will be the same color. Use SetBondColor to set the rgb values used. If 'DiscreteByAtom' is selected, each bond is colored using the same lookup table as the atoms at each end, with a sharp color boundary at the bond center.

void vtkMoleculeMapper::SetBondColorModeToSingleColor ( )
inline

Get/Set the method by which bonds are colored. If 'SingleColor' is used, all bonds will be the same color. Use SetBondColor to set the rgb values used. If 'DiscreteByAtom' is selected, each bond is colored using the same lookup table as the atoms at each end, with a sharp color boundary at the bond center.

Definition at line 156 of file vtkMoleculeMapper.h.

void vtkMoleculeMapper::SetBondColorModeToDiscreteByAtom ( )
inline

Get/Set the method by which bonds are colored. If 'SingleColor' is used, all bonds will be the same color. Use SetBondColor to set the rgb values used. If 'DiscreteByAtom' is selected, each bond is colored using the same lookup table as the atoms at each end, with a sharp color boundary at the bond center.

Definition at line 160 of file vtkMoleculeMapper.h.

virtual unsigned char* vtkMoleculeMapper::GetBondColor ( )
virtual

Get/Set the color of the bonds as an rgb tuple. Default: {50, 50, 50} (dark grey)

virtual void vtkMoleculeMapper::GetBondColor ( unsigned char &  ,
unsigned char &  ,
unsigned char &   
)
virtual

Get/Set the color of the bonds as an rgb tuple. Default: {50, 50, 50} (dark grey)

virtual void vtkMoleculeMapper::GetBondColor ( unsigned  char[3])
virtual

Get/Set the color of the bonds as an rgb tuple. Default: {50, 50, 50} (dark grey)

virtual void vtkMoleculeMapper::SetBondColor ( unsigned  char,
unsigned  char,
unsigned  char 
)
virtual

Get/Set the color of the bonds as an rgb tuple. Default: {50, 50, 50} (dark grey)

virtual void vtkMoleculeMapper::SetBondColor ( unsigned  char[3])
virtual

Get/Set the color of the bonds as an rgb tuple. Default: {50, 50, 50} (dark grey)

virtual float vtkMoleculeMapper::GetBondRadius ( )
virtual

Get/Set the radius of the bond cylinders. Default: 0.075

virtual void vtkMoleculeMapper::SetBondRadius ( float  )
virtual

Get/Set the radius of the bond cylinders. Default: 0.075

virtual void vtkMoleculeMapper::GetSelectedAtomsAndBonds ( vtkSelection *  selection,
vtkIdTypeArray *  atomIds,
vtkIdTypeArray *  bondIds 
)
virtual

Extract the ids atoms and/or bonds rendered by this molecule from a vtkSelection object. The vtkIdTypeArray

virtual void vtkMoleculeMapper::GetSelectedAtoms ( vtkSelection *  selection,
vtkIdTypeArray *  atomIds 
)
inlinevirtual

Extract the ids atoms and/or bonds rendered by this molecule from a vtkSelection object. The vtkIdTypeArray

Definition at line 185 of file vtkMoleculeMapper.h.

virtual void vtkMoleculeMapper::GetSelectedBonds ( vtkSelection *  selection,
vtkIdTypeArray *  bondIds 
)
inlinevirtual

Extract the ids atoms and/or bonds rendered by this molecule from a vtkSelection object. The vtkIdTypeArray

Definition at line 190 of file vtkMoleculeMapper.h.

virtual void vtkMoleculeMapper::Render ( vtkRenderer *  ,
vtkActor *   
)
virtual

Reimplemented from base class

virtual void vtkMoleculeMapper::ReleaseGraphicsResources ( vtkWindow *  )
virtual

Reimplemented from base class

double* vtkMoleculeMapper::GetBounds ( )

Reimplemented from base class

void vtkMoleculeMapper::GetBounds ( double  bounds[6])
inline

Reimplemented from base class

Definition at line 202 of file vtkMoleculeMapper.h.

virtual int vtkMoleculeMapper::FillInputPortInformation ( int  port,
vtkInformation *  info 
)
virtual

Reimplemented from base class

virtual bool vtkMoleculeMapper::GetSupportsSelection ( )
inlinevirtual

Reimplemented from base class

Definition at line 204 of file vtkMoleculeMapper.h.

void vtkMoleculeMapper::GlyphRender ( vtkRenderer *  ren,
vtkActor *  act 
)
protected

Internal render methods

void vtkMoleculeMapper::UpdateGlyphPolyData ( )
protected

Cached variables and update methods

void vtkMoleculeMapper::UpdateAtomGlyphPolyData ( )
protected

Cached variables and update methods

void vtkMoleculeMapper::UpdateBondGlyphPolyData ( )
protected

Cached variables and update methods

Member Data Documentation

bool vtkMoleculeMapper::RenderAtoms
protected

Customize atom rendering

Definition at line 213 of file vtkMoleculeMapper.h.

int vtkMoleculeMapper::AtomicRadiusType
protected

Customize atom rendering

Definition at line 214 of file vtkMoleculeMapper.h.

float vtkMoleculeMapper::AtomicRadiusScaleFactor
protected

Customize atom rendering

Definition at line 215 of file vtkMoleculeMapper.h.

bool vtkMoleculeMapper::RenderBonds
protected

Customize bond rendering

Definition at line 220 of file vtkMoleculeMapper.h.

int vtkMoleculeMapper::BondColorMode
protected

Customize bond rendering

Definition at line 221 of file vtkMoleculeMapper.h.

bool vtkMoleculeMapper::UseMultiCylindersForBonds
protected

Customize bond rendering

Definition at line 222 of file vtkMoleculeMapper.h.

float vtkMoleculeMapper::BondRadius
protected

Customize bond rendering

Definition at line 223 of file vtkMoleculeMapper.h.

unsigned char vtkMoleculeMapper::BondColor[3]
protected

Customize bond rendering

Definition at line 224 of file vtkMoleculeMapper.h.

vtkNew<vtkPolyData> vtkMoleculeMapper::AtomGlyphPolyData
protected

Cached variables and update methods

Definition at line 232 of file vtkMoleculeMapper.h.

vtkNew<vtkTrivialProducer> vtkMoleculeMapper::AtomGlyphPointOutput
protected

Cached variables and update methods

Definition at line 233 of file vtkMoleculeMapper.h.

vtkNew<vtkPolyData> vtkMoleculeMapper::BondGlyphPolyData
protected

Cached variables and update methods

Definition at line 234 of file vtkMoleculeMapper.h.

vtkNew<vtkTrivialProducer> vtkMoleculeMapper::BondGlyphPointOutput
protected

Cached variables and update methods

Definition at line 235 of file vtkMoleculeMapper.h.

bool vtkMoleculeMapper::GlyphDataInitialized
protected

Cached variables and update methods

Definition at line 236 of file vtkMoleculeMapper.h.

vtkNew<vtkGlyph3DMapper> vtkMoleculeMapper::AtomGlyphMapper
protected

Internal mappers

Definition at line 244 of file vtkMoleculeMapper.h.

vtkNew<vtkGlyph3DMapper> vtkMoleculeMapper::BondGlyphMapper
protected

Internal mappers

Definition at line 245 of file vtkMoleculeMapper.h.

vtkNew<vtkPeriodicTable> vtkMoleculeMapper::PeriodicTable
protected

Periodic table for lookups

Definition at line 249 of file vtkMoleculeMapper.h.


The documentation for this class was generated from the following file: