26 #ifndef vtkMoleculeMapper_h 27 #define vtkMoleculeMapper_h 62 void UseBallAndStickSettings();
69 void UseVDWSpheresSettings();
76 void UseLiquoriceStickSettings();
85 void UseFastSettings();
112 const char * GetAtomicRadiusTypeAsString();
115 this->SetAtomicRadiusType(CovalentRadius);
119 this->SetAtomicRadiusType(VDWRadius);
123 this->SetAtomicRadiusType(UnitRadius);
155 const char * GetBondColorModeAsString();
158 this->SetBondColorMode(SingleColor);
162 this->SetBondColorMode(DiscreteByAtom);
182 virtual void GetSelectedAtomsAndBonds(
vtkSelection *selection,
188 this->GetSelectedAtomsAndBonds(selection, atomIds, NULL);
193 this->GetSelectedAtomsAndBonds(selection, NULL, bondIds);
224 unsigned char BondColor[3];
237 virtual void UpdateGlyphPolyData();
238 virtual void UpdateAtomGlyphPolyData();
239 virtual void UpdateBondGlyphPolyData();
Access to information about the elements.
represents an object (geometry & properties) in a rendered scene
vtkNew< vtkGlyph3DMapper > BondGlyphMapper
vtkNew< vtkPeriodicTable > PeriodicTable
virtual void ReleaseGraphicsResources(vtkWindow *)
class describing a molecule
float AtomicRadiusScaleFactor
bool GlyphDataInitialized
void SetAtomicRadiusTypeToCovalentRadius()
#define vtkGetMacro(name, type)
bool UseMultiCylindersForBonds
virtual void GetSelectedBonds(vtkSelection *selection, vtkIdTypeArray *bondIds)
virtual bool GetSupportsSelection()
abstract specification for renderers
vtkNew< vtkPolyData > AtomGlyphPolyData
A node in a selection tree. Used to store selection results.
dynamic, self-adjusting array of vtkIdType
concrete dataset represents vertices, lines, polygons, and triangle strips
void SetAtomicRadiusTypeToVDWRadius()
#define vtkTypeMacro(thisClass, superclass)
Mapper that draws vtkMolecule objects.
void GetBounds(double bounds[6])
window superclass for vtkRenderWindow
create a polygonal sphere centered at the origin
vtkNew< vtkPolyData > BondGlyphPolyData
Producer for stand-alone data objects.
#define VTKDOMAINSCHEMISTRY_EXPORT
a simple class to control print indentation
vtkNew< vtkTrivialProducer > AtomGlyphPointOutput
vtkNew< vtkGlyph3DMapper > AtomGlyphMapper
void SetAtomicRadiusTypeToUnitRadius()
void PrintSelf(ostream &os, vtkIndent indent)
#define vtkGetVector3Macro(name, type)
virtual double * GetBounds()=0
virtual int FillInputPortInformation(int port, vtkInformation *info)
vtkNew< vtkTrivialProducer > BondGlyphPointOutput
abstract class specifies interface to map data to graphics primitives
void SetBondColorModeToDiscreteByAtom()
virtual void GetSelectedAtoms(vtkSelection *selection, vtkIdTypeArray *atomIds)
virtual double * GetBounds()
static vtkAlgorithm * New()
#define vtkBooleanMacro(name, type)
virtual void Render(vtkRenderer *ren, vtkActor *a)=0
#define vtkSetVector3Macro(name, type)
void SetBondColorModeToSingleColor()
#define vtkSetMacro(name, type)