24 #ifndef vtkMoleculeMapper_h
25 #define vtkMoleculeMapper_h
27 #include "vtkDomainsChemistryModule.h"
69 void UseBallAndStickSettings();
82 void UseVDWSpheresSettings();
95 void UseLiquoriceStickSettings();
111 void UseFastSettings();
117 vtkGetMacro(RenderAtoms,
bool);
126 vtkGetMacro(RenderBonds,
bool);
136 vtkGetMacro(RenderLattice,
bool)
154 vtkGetMacro(AtomicRadiusType,
int);
156 const char * GetAtomicRadiusTypeAsString();
159 this->SetAtomicRadiusType(CovalentRadius);
163 this->SetAtomicRadiusType(VDWRadius);
167 this->SetAtomicRadiusType(UnitRadius);
171 this->SetAtomicRadiusType(CustomArrayRadius);
181 vtkGetMacro(AtomicRadiusScaleFactor,
float);
190 vtkGetMacro(UseMultiCylindersForBonds,
bool);
211 vtkGetMacro(BondColorMode,
int);
213 const char * GetBondColorModeAsString();
216 this->SetBondColorMode(SingleColor);
220 this->SetBondColorMode(DiscreteByAtom);
229 vtkGetVector3Macro(BondColor,
unsigned char);
230 vtkSetVector3Macro(BondColor,
unsigned char);
237 vtkGetMacro(BondRadius,
float);
246 vtkGetVector3Macro(LatticeColor,
unsigned char)
247 vtkSetVector3Macro(LatticeColor,
unsigned char)
255 virtual void GetSelectedAtomsAndBonds(
vtkSelection *selection,
261 this->GetSelectedAtomsAndBonds(selection, atomIds, NULL);
266 this->GetSelectedAtomsAndBonds(selection, NULL, bondIds);
275 void ReleaseGraphicsResources(
vtkWindow *) VTK_OVERRIDE;
276 double * GetBounds() VTK_OVERRIDE;
291 int AtomicRadiusType;
292 float AtomicRadiusScaleFactor;
301 bool UseMultiCylindersForBonds;
303 unsigned char BondColor[3];
321 bool GlyphDataInitialized;
322 virtual
void UpdateGlyphPolyData();
323 virtual
void UpdateAtomGlyphPolyData();
324 virtual
void UpdateBondGlyphPolyData();
335 unsigned char LatticeColor[3];
338 virtual
void UpdateLatticePolyData();
Access to information about the elements.
represents an object (geometry & properties) in a rendered scene
bool GetSupportsSelection() override
Reimplemented from base class.
class describing a molecule
void SetAtomicRadiusTypeToCovalentRadius()
Get/Set the type of radius used to generate the atoms.
virtual void GetSelectedBonds(vtkSelection *selection, vtkIdTypeArray *bondIds)
Extract the ids atoms and/or bonds rendered by this molecule from a vtkSelection object.
abstract specification for renderers
A node in a selection tree.
dynamic, self-adjusting array of vtkIdType
concrete dataset represents vertices, lines, polygons, and triangle strips
void SetAtomicRadiusTypeToVDWRadius()
Get/Set the type of radius used to generate the atoms.
void SetAtomicRadiusTypeToCustomArrayRadius()
Get/Set the type of radius used to generate the atoms.
Mapper that draws vtkMolecule objects.
window superclass for vtkRenderWindow
create a polygonal sphere centered at the origin
Producer for stand-alone data objects.
a simple class to control print indentation
void SetAtomicRadiusTypeToUnitRadius()
Get/Set the type of radius used to generate the atoms.
virtual double * GetBounds()=0
Return bounding box (array of six doubles) of data expressed as (xmin,xmax, ymin,ymax, zmin,zmax).
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
virtual int FillInputPortInformation(int port, vtkInformation *info)
Fill the input port information objects for this algorithm.
abstract class specifies interface to map data to graphics primitives
vtkSetMacro(IgnoreDriverBugs, bool)
When set known driver bugs are ignored during driver feature detection.
map vtkPolyData to graphics primitives
void SetBondColorModeToDiscreteByAtom()
Get/Set the method by which bonds are colored.
Allocate and hold a VTK object.
virtual void GetSelectedAtoms(vtkSelection *selection, vtkIdTypeArray *atomIds)
Extract the ids atoms and/or bonds rendered by this molecule from a vtkSelection object.
static vtkAlgorithm * New()
vtkBooleanMacro(IgnoreDriverBugs, bool)
When set known driver bugs are ignored during driver feature detection.
vtkDataSet * GetInput()
Get the input as a vtkDataSet.
virtual void Render(vtkRenderer *ren, vtkActor *a)=0
Method initiates the mapping process.
void SetBondColorModeToSingleColor()
Get/Set the method by which bonds are colored.