VTK  9.3.0
vtkMoleculeMapper.h
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1// SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
2// SPDX-License-Identifier: BSD-3-Clause
15#ifndef vtkMoleculeMapper_h
16#define vtkMoleculeMapper_h
17
18#include "vtkDomainsChemistryModule.h" // For export macro
19#include "vtkMapper.h"
20#include "vtkNew.h" // For vtkNew
21
22VTK_ABI_NAMESPACE_BEGIN
23class vtkActor;
25class vtkIdTypeArray;
26class vtkMolecule;
28class vtkPolyData;
30class vtkRenderer;
31class vtkSelection;
32class vtkSphereSource;
34
35class VTKDOMAINSCHEMISTRY_EXPORT vtkMoleculeMapper : public vtkMapper
36{
37public:
40 void PrintSelf(ostream& os, vtkIndent indent) override;
41
43
49
62
75
88
104
106
109 vtkGetMacro(RenderAtoms, bool);
110 vtkSetMacro(RenderAtoms, bool);
111 vtkBooleanMacro(RenderAtoms, bool);
113
115
118 vtkGetMacro(RenderBonds, bool);
119 vtkSetMacro(RenderBonds, bool);
120 vtkBooleanMacro(RenderBonds, bool);
122
124
128 vtkGetMacro(RenderLattice, bool);
129 vtkSetMacro(RenderLattice, bool);
130 vtkBooleanMacro(RenderLattice, bool);
132
133 enum
134 {
135 CovalentRadius = 0,
138 CustomArrayRadius
139 };
140
142
147 vtkGetMacro(AtomicRadiusType, int);
148 vtkSetMacro(AtomicRadiusType, int);
150 void SetAtomicRadiusTypeToCovalentRadius() { this->SetAtomicRadiusType(CovalentRadius); }
151 void SetAtomicRadiusTypeToVDWRadius() { this->SetAtomicRadiusType(VDWRadius); }
152 void SetAtomicRadiusTypeToUnitRadius() { this->SetAtomicRadiusType(UnitRadius); }
153 void SetAtomicRadiusTypeToCustomArrayRadius() { this->SetAtomicRadiusType(CustomArrayRadius); }
155
157
162 vtkGetMacro(AtomicRadiusScaleFactor, float);
163 vtkSetMacro(AtomicRadiusScaleFactor, float);
165
167
171 vtkGetMacro(UseMultiCylindersForBonds, bool);
172 vtkSetMacro(UseMultiCylindersForBonds, bool);
173 vtkBooleanMacro(UseMultiCylindersForBonds, bool);
175
176 enum
177 {
178 SingleColor = 0,
179 DiscreteByAtom
180 };
181
183
193 vtkGetMacro(BondColorMode, int);
194 vtkSetClampMacro(BondColorMode, int, SingleColor, DiscreteByAtom);
195 void SetBondColorModeToSingleColor() { this->SetBondColorMode(SingleColor); }
196 void SetBondColorModeToDiscreteByAtom() { this->SetBondColorMode(DiscreteByAtom); }
199
201
210 vtkGetMacro(AtomColorMode, int);
211 vtkSetClampMacro(AtomColorMode, int, SingleColor, DiscreteByAtom);
213
215
219 vtkGetVector3Macro(AtomColor, unsigned char);
220 vtkSetVector3Macro(AtomColor, unsigned char);
222
224
228 vtkGetVector3Macro(BondColor, unsigned char);
229 vtkSetVector3Macro(BondColor, unsigned char);
231
233
236 vtkGetMacro(BondRadius, float);
237 vtkSetMacro(BondRadius, float);
239
241
245 vtkGetVector3Macro(LatticeColor, unsigned char);
246 vtkSetVector3Macro(LatticeColor, unsigned char);
248
250
255 vtkSelection* selection, vtkIdTypeArray* atomIds, vtkIdTypeArray* bondIds);
256 virtual void GetSelectedAtoms(vtkSelection* selection, vtkIdTypeArray* atomIds)
257 {
258 this->GetSelectedAtomsAndBonds(selection, atomIds, nullptr);
259 }
260 virtual void GetSelectedBonds(vtkSelection* selection, vtkIdTypeArray* bondIds)
261 {
262 this->GetSelectedAtomsAndBonds(selection, nullptr, bondIds);
263 }
265
267
270 void Render(vtkRenderer*, vtkActor*) override;
272 double* GetBounds() override;
273 void GetBounds(double bounds[6]) override { Superclass::GetBounds(bounds); }
274 int FillInputPortInformation(int port, vtkInformation* info) override;
275 bool GetSupportsSelection() override { return true; }
277
279
283 vtkGetStringMacro(AtomicRadiusArrayName);
284 vtkSetStringMacro(AtomicRadiusArrayName);
286
291 virtual void SetMapScalars(bool map);
292
296 vtkPeriodicTable* GetPeriodicTable() { return this->PeriodicTable; }
297
298protected:
301
303
311 unsigned char AtomColor[3];
313
315
322 unsigned char BondColor[3];
324
326
331
333
341 virtual void UpdateGlyphPolyData();
345
347
353
354 unsigned char LatticeColor[3];
357 virtual void UpdateLatticePolyData();
358
363
364private:
365 vtkMoleculeMapper(const vtkMoleculeMapper&) = delete;
366 void operator=(const vtkMoleculeMapper&) = delete;
367};
368
369VTK_ABI_NAMESPACE_END
370#endif
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
Definition vtkActor.h:41
vtkGlyph3D on the GPU.
dynamic, self-adjusting array of vtkIdType
a simple class to control print indentation
Definition vtkIndent.h:29
Store vtkAlgorithm input/output information.
abstract class specifies interface to map data to graphics primitives
Definition vtkMapper.h:77
Mapper that draws vtkMolecule objects.
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.
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.
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.
int FillInputPortInformation(int port, vtkInformation *info) override
Reimplemented from base class.
static vtkMoleculeMapper * New()
virtual void UpdateAtomGlyphPolyData()
Cached variables and update methods.
int AtomColorMode
Customize atom rendering.
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
Definition vtkMolecule.h:84
Allocate and hold a VTK object.
Definition vtkNew.h:51
Access to information about the elements.
map vtkPolyData to graphics primitives
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition vtkPolyData.h:80
abstract specification for renderers
Definition vtkRenderer.h:59
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
Definition vtkWindow.h:25