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27 #ifndef vtkMoleculeMapper_h
28 #define vtkMoleculeMapper_h
30 #include "vtkDomainsChemistryModule.h"
120 vtkGetMacro(RenderAtoms,
bool);
121 vtkSetMacro(RenderAtoms,
bool);
122 vtkBooleanMacro(RenderAtoms,
bool);
129 vtkGetMacro(RenderBonds,
bool);
130 vtkSetMacro(RenderBonds,
bool);
131 vtkBooleanMacro(RenderBonds,
bool);
139 vtkGetMacro(RenderLattice,
bool)
140 vtkSetMacro(RenderLattice,
bool)
141 vtkBooleanMacro(RenderLattice,
bool)
157 vtkGetMacro(AtomicRadiusType,
int);
158 vtkSetMacro(AtomicRadiusType,
int);
162 this->SetAtomicRadiusType(CovalentRadius);
166 this->SetAtomicRadiusType(VDWRadius);
170 this->SetAtomicRadiusType(UnitRadius);
174 this->SetAtomicRadiusType(CustomArrayRadius);
184 vtkGetMacro(AtomicRadiusScaleFactor,
float);
185 vtkSetMacro(AtomicRadiusScaleFactor,
float);
193 vtkGetMacro(UseMultiCylindersForBonds,
bool);
194 vtkSetMacro(UseMultiCylindersForBonds,
bool);
195 vtkBooleanMacro(UseMultiCylindersForBonds,
bool);
214 vtkGetMacro(BondColorMode,
int);
215 vtkSetMacro(BondColorMode,
int);
219 this->SetBondColorMode(SingleColor);
223 this->SetBondColorMode(DiscreteByAtom);
232 vtkGetVector3Macro(BondColor,
unsigned char);
233 vtkSetVector3Macro(BondColor,
unsigned char);
240 vtkGetMacro(BondRadius,
float);
241 vtkSetMacro(BondRadius,
float);
249 vtkGetVector3Macro(LatticeColor,
unsigned char)
250 vtkSetVector3Macro(LatticeColor,
unsigned char)
264 this->GetSelectedAtomsAndBonds(selection, atomIds,
nullptr);
269 this->GetSelectedAtomsAndBonds(selection,
nullptr, bondIds);
290 vtkGetStringMacro(AtomicRadiusArrayName);
291 vtkSetStringMacro(AtomicRadiusArrayName);
316 unsigned char BondColor[3];
348 unsigned char LatticeColor[3];
map vtkPolyData to graphics primitives
void SetAtomicRadiusTypeToCovalentRadius()
bool GetSupportsSelection() override
WARNING: INTERNAL METHOD - NOT INTENDED FOR GENERAL USE DO NOT USE THIS METHOD OUTSIDE OF THE RENDERI...
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.
vtkNew< vtkPeriodicTable > PeriodicTable
Periodic table for lookups.
void SetAtomicRadiusTypeToVDWRadius()
void SetAtomicRadiusTypeToCustomArrayRadius()
float AtomicRadiusScaleFactor
bool GlyphDataInitialized
data object that represents a "selection" in VTK.
vtkNew< vtkPolyData > BondGlyphPolyData
virtual void UpdateBondGlyphPolyData()
char * AtomicRadiusArrayName
void Render(vtkRenderer *, vtkActor *) override
Reimplemented from base class.
vtkNew< vtkPolyData > LatticePolyData
int FillInputPortInformation(int port, vtkInformation *info) override
Fill the input port information objects for this algorithm.
Producer for stand-alone data objects.
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
void ReleaseGraphicsResources(vtkWindow *) override
Release any graphics resources that are being consumed by this mapper.
double * GetBounds() override
Return bounding box (array of six doubles) of data expressed as (xmin,xmax, ymin,ymax,...
represents an object (geometry & properties) in a rendered scene
a simple class to control print indentation
void SetAtomicRadiusTypeToUnitRadius()
~vtkMoleculeMapper() override
class describing a molecule
Access to information about the elements.
Mapper that draws vtkMolecule objects.
vtkNew< vtkGlyph3DMapper > AtomGlyphMapper
Internal mappers.
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
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
vtkNew< vtkTrivialProducer > BondGlyphPointOutput
static vtkMoleculeMapper * New()
void GetBounds(double bounds[6]) override
Get the bounds for this mapper as (Xmin,Xmax,Ymin,Ymax,Zmin,Zmax).
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.