27#ifndef vtkMoleculeMapper_h
28#define vtkMoleculeMapper_h
30#include "vtkDomainsChemistryModule.h"
virtual double * GetBounds()=0
Return bounding box (array of six doubles) of data expressed as (xmin,xmax, ymin,ymax,...
represents an object (geometry & properties) in a rendered scene
dynamic, self-adjusting array of vtkIdType
a simple class to control print indentation
virtual void GetSelectedBonds(vtkSelection *selection, vtkIdTypeArray *bondIds)
Extract the ids atoms and/or bonds rendered by this molecule from a vtkSelection object.
const char * GetBondColorModeAsString()
Get/Set the method by which bonds are colored.
unsigned char BondColor[3]
Customize bond rendering.
virtual void GetSelectedAtoms(vtkSelection *selection, vtkIdTypeArray *atomIds)
Extract the ids atoms and/or bonds rendered by this molecule from a vtkSelection object.
virtual void SetMapScalars(bool map)
Helper method to set ScalarMode on both AtomGlyphMapper and BondGlyphMapper.
void SetBondColorModeToDiscreteByAtom()
Get/Set the method by which bonds are colored.
void SetAtomicRadiusTypeToUnitRadius()
Get/Set the type of radius used to generate the atoms.
bool GlyphDataInitialized
Cached variables and update methods.
vtkNew< vtkGlyph3DMapper > AtomGlyphMapper
Internal mappers.
bool RenderAtoms
Customize atom rendering.
vtkPeriodicTable * GetPeriodicTable()
Accessor to internal structure.
void SetAtomicRadiusTypeToVDWRadius()
Get/Set the type of radius used to generate the atoms.
void UseLiquoriceStickSettings()
Set ivars to default liquorice stick settings.
vtkNew< vtkPeriodicTable > PeriodicTable
Periodic table for lookups.
float AtomicRadiusScaleFactor
Customize atom rendering.
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
virtual void GetSelectedAtomsAndBonds(vtkSelection *selection, vtkIdTypeArray *atomIds, vtkIdTypeArray *bondIds)
Extract the ids atoms and/or bonds rendered by this molecule from a vtkSelection object.
float BondRadius
Customize bond rendering.
~vtkMoleculeMapper() override
int AtomicRadiusType
Customize atom rendering.
bool RenderBonds
Customize bond rendering.
unsigned char LatticeColor[3]
void Render(vtkRenderer *, vtkActor *) override
Reimplemented from base class.
void SetAtomicRadiusTypeToCustomArrayRadius()
Get/Set the type of radius used to generate the atoms.
void SetAtomicRadiusTypeToCovalentRadius()
Get/Set the type of radius used to generate the atoms.
char * AtomicRadiusArrayName
Customize atom rendering.
virtual void SetBondColorMode(int)
Get/Set the method by which bonds are colored.
int FillInputPortInformation(int port, vtkInformation *info) override
Reimplemented from base class.
static vtkMoleculeMapper * New()
virtual void UpdateAtomGlyphPolyData()
Cached variables and update methods.
unsigned char AtomColor[3]
Customize atom rendering.
int AtomColorMode
Customize atom rendering.
virtual void SetAtomicRadiusType(int)
Get/Set the type of radius used to generate the atoms.
double * GetBounds() override
Reimplemented from base class.
virtual void UpdateGlyphPolyData()
Cached variables and update methods.
vtkNew< vtkPolyData > BondGlyphPolyData
Cached variables and update methods.
vtkNew< vtkTrivialProducer > BondGlyphPointOutput
Cached variables and update methods.
void UseFastSettings()
Set ivars to use fast settings that may be useful for rendering extremely large molecules where the o...
void SetBondColorModeToSingleColor()
Get/Set the method by which bonds are colored.
bool UseMultiCylindersForBonds
Customize bond rendering.
bool GetSupportsSelection() override
Reimplemented from base class.
const char * GetAtomicRadiusTypeAsString()
Get/Set the type of radius used to generate the atoms.
vtkNew< vtkGlyph3DMapper > BondGlyphMapper
Internal mappers.
vtkMolecule * GetInput()
Get/Set the input vtkMolecule.
void SetInputData(vtkMolecule *in)
Get/Set the input vtkMolecule.
virtual void UpdateLatticePolyData()
void UseBallAndStickSettings()
Set ivars to default ball-and-stick settings.
void GlyphRender(vtkRenderer *ren, vtkActor *act)
Internal render methods.
int BondColorMode
Customize bond rendering.
void ReleaseGraphicsResources(vtkWindow *) override
Reimplemented from base class.
void UseVDWSpheresSettings()
Set ivars to default van der Waals spheres settings.
vtkNew< vtkTrivialProducer > AtomGlyphPointOutput
Cached variables and update methods.
void GetBounds(double bounds[6]) override
Reimplemented from base class.
virtual void UpdateBondGlyphPolyData()
Cached variables and update methods.
vtkNew< vtkPolyDataMapper > LatticeMapper
vtkNew< vtkPolyData > LatticePolyData
vtkNew< vtkPolyData > AtomGlyphPolyData
Cached variables and update methods.
class describing a molecule
Allocate and hold a VTK object.
Access to information about the elements.
map vtkPolyData to graphics primitives
concrete dataset represents vertices, lines, polygons, and triangle strips
abstract specification for renderers
data object that represents a "selection" in VTK.
create a polygonal sphere centered at the origin
Producer for stand-alone data objects.
window superclass for vtkRenderWindow