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27 #ifndef vtkMoleculeMapper_h
28 #define vtkMoleculeMapper_h
30 #include "vtkDomainsChemistryModule.h"
120 vtkGetMacro(RenderAtoms,
bool);
129 vtkGetMacro(RenderBonds,
bool);
139 vtkGetMacro(RenderLattice,
bool)
157 vtkGetMacro(AtomicRadiusType,
int);
162 this->SetAtomicRadiusType(CovalentRadius);
166 this->SetAtomicRadiusType(VDWRadius);
170 this->SetAtomicRadiusType(UnitRadius);
174 this->SetAtomicRadiusType(CustomArrayRadius);
184 vtkGetMacro(AtomicRadiusScaleFactor,
float);
193 vtkGetMacro(UseMultiCylindersForBonds,
bool);
214 vtkGetMacro(BondColorMode,
int);
219 this->SetBondColorMode(SingleColor);
223 this->SetBondColorMode(DiscreteByAtom);
232 vtkGetVector3Macro(BondColor,
unsigned char);
233 vtkSetVector3Macro(BondColor,
unsigned char);
240 vtkGetMacro(BondRadius,
float);
249 vtkGetVector3Macro(LatticeColor,
unsigned char)
250 vtkSetVector3Macro(LatticeColor,
unsigned char)
264 this->GetSelectedAtomsAndBonds(selection, atomIds, NULL);
269 this->GetSelectedAtomsAndBonds(selection, NULL, bondIds);
306 unsigned char BondColor[3];
338 unsigned char LatticeColor[3];
map vtkPolyData to graphics primitives
void SetAtomicRadiusTypeToCovalentRadius()
virtual void Render(vtkRenderer *, vtkActor *)
Reimplemented from base class.
void SetBondColorModeToSingleColor()
virtual double * GetBounds()=0
Return bounding box (array of six doubles) of data expressed as (xmin,xmax, ymin,ymax,...
virtual void UpdateLatticePolyData()
void GlyphRender(vtkRenderer *ren, vtkActor *act)
Internal render methods.
double * GetBounds()
Return bounding box (array of six doubles) of data expressed as (xmin,xmax, ymin,ymax,...
vtkNew< vtkPeriodicTable > PeriodicTable
Periodic table for lookups.
void SetAtomicRadiusTypeToVDWRadius()
void SetAtomicRadiusTypeToCustomArrayRadius()
float AtomicRadiusScaleFactor
bool GlyphDataInitialized
virtual int FillInputPortInformation(int port, vtkInformation *info)
Fill the input port information objects for this algorithm.
A node in a selection tree.
vtkNew< vtkPolyData > BondGlyphPolyData
virtual void UpdateBondGlyphPolyData()
virtual bool GetSupportsSelection()
WARNING: INTERNAL METHOD - NOT INTENDED FOR GENERAL USE DO NOT USE THIS METHOD OUTSIDE OF THE RENDERI...
vtkNew< vtkPolyData > LatticePolyData
Producer for stand-alone data objects.
void GetBounds(double bounds[6])
Get the bounds for this mapper as (Xmin,Xmax,Ymin,Ymax,Zmin,Zmax).
virtual void UpdateGlyphPolyData()
bool RenderAtoms
Customize atom rendering.
window superclass for vtkRenderWindow
virtual void UpdateAtomGlyphPolyData()
bool UseMultiCylindersForBonds
virtual void GetSelectedBonds(vtkSelection *selection, vtkIdTypeArray *bondIds)
vtkNew< vtkPolyData > AtomGlyphPolyData
Cached variables and update methods.
vtkNew< vtkPolyDataMapper > LatticeMapper
void UseLiquoriceStickSettings()
Set ivars to default liquorice stick settings.
vtkNew< vtkTrivialProducer > AtomGlyphPointOutput
create a polygonal sphere centered at the origin
abstract class specifies interface to map data to graphics primitives
virtual void ReleaseGraphicsResources(vtkWindow *)
Release any graphics resources that are being consumed by this mapper.
represents an object (geometry & properties) in a rendered scene
a simple class to control print indentation
void SetAtomicRadiusTypeToUnitRadius()
class describing a molecule
Access to information about the elements.
Mapper that draws vtkMolecule objects.
void PrintSelf(ostream &os, vtkIndent indent)
Methods invoked by print to print information about the object including superclasses.
vtkBooleanMacro(IgnoreDriverBugs, bool)
Updates the extensions string.
vtkNew< vtkGlyph3DMapper > AtomGlyphMapper
Internal mappers.
vtkSetMacro(IgnoreDriverBugs, bool)
Updates the extensions string.
dynamic, self-adjusting array of vtkIdType
const char * GetBondColorModeAsString()
void UseFastSettings()
Set ivars to use fast settings that may be useful for rendering extremely large molecules where the o...
abstract specification for renderers
void SetBondColorModeToDiscreteByAtom()
concrete dataset represents vertices, lines, polygons, and triangle strips
vtkNew< vtkTrivialProducer > BondGlyphPointOutput
static vtkMoleculeMapper * New()
const char * GetAtomicRadiusTypeAsString()
void UseBallAndStickSettings()
Set ivars to default ball-and-stick settings.
bool RenderBonds
Customize bond rendering.
vtkNew< vtkGlyph3DMapper > BondGlyphMapper
void SetInputData(vtkMolecule *in)
Get/Set the input vtkMolecule.
void UseVDWSpheresSettings()
Set ivars to default van der Waals spheres settings.