VTK  9.1.0
vtkMoleculeMapper.h
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1/*=========================================================================
2
3 Program: Visualization Toolkit
4 Module: vtkMoleculeMapper.h
5
6 Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
7 All rights reserved.
8 See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
9
10 This software is distributed WITHOUT ANY WARRANTY; without even
11 the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
12 PURPOSE. See the above copyright notice for more information.
13
14=========================================================================*/
24#ifndef vtkMoleculeMapper_h
25#define vtkMoleculeMapper_h
26
27#include "vtkDomainsChemistryModule.h" // For export macro
28#include "vtkMapper.h"
29#include "vtkNew.h" // For vtkNew
30
31class vtkActor;
33class vtkIdTypeArray;
34class vtkMolecule;
36class vtkPolyData;
38class vtkRenderer;
39class vtkSelection;
40class vtkSphereSource;
42
43class VTKDOMAINSCHEMISTRY_EXPORT vtkMoleculeMapper : public vtkMapper
44{
45public:
48 void PrintSelf(ostream& os, vtkIndent indent) override;
49
51
57
70
83
96
112
114
117 vtkGetMacro(RenderAtoms, bool);
118 vtkSetMacro(RenderAtoms, bool);
119 vtkBooleanMacro(RenderAtoms, bool);
121
123
126 vtkGetMacro(RenderBonds, bool);
127 vtkSetMacro(RenderBonds, bool);
128 vtkBooleanMacro(RenderBonds, bool);
130
132
136 vtkGetMacro(RenderLattice, bool);
137 vtkSetMacro(RenderLattice, bool);
138 vtkBooleanMacro(RenderLattice, bool);
140
141 enum
142 {
143 CovalentRadius = 0,
146 CustomArrayRadius
147 };
148
150
155 vtkGetMacro(AtomicRadiusType, int);
156 vtkSetMacro(AtomicRadiusType, int);
158 void SetAtomicRadiusTypeToCovalentRadius() { this->SetAtomicRadiusType(CovalentRadius); }
159 void SetAtomicRadiusTypeToVDWRadius() { this->SetAtomicRadiusType(VDWRadius); }
160 void SetAtomicRadiusTypeToUnitRadius() { this->SetAtomicRadiusType(UnitRadius); }
161 void SetAtomicRadiusTypeToCustomArrayRadius() { this->SetAtomicRadiusType(CustomArrayRadius); }
163
165
170 vtkGetMacro(AtomicRadiusScaleFactor, float);
171 vtkSetMacro(AtomicRadiusScaleFactor, float);
173
175
179 vtkGetMacro(UseMultiCylindersForBonds, bool);
180 vtkSetMacro(UseMultiCylindersForBonds, bool);
181 vtkBooleanMacro(UseMultiCylindersForBonds, bool);
183
184 enum
185 {
186 SingleColor = 0,
187 DiscreteByAtom
188 };
189
191
201 vtkGetMacro(BondColorMode, int);
202 vtkSetClampMacro(BondColorMode, int, SingleColor, DiscreteByAtom);
203 void SetBondColorModeToSingleColor() { this->SetBondColorMode(SingleColor); }
204 void SetBondColorModeToDiscreteByAtom() { this->SetBondColorMode(DiscreteByAtom); }
207
209
218 vtkGetMacro(AtomColorMode, int);
219 vtkSetClampMacro(AtomColorMode, int, SingleColor, DiscreteByAtom);
221
223
227 vtkGetVector3Macro(AtomColor, unsigned char);
228 vtkSetVector3Macro(AtomColor, unsigned char);
230
232
236 vtkGetVector3Macro(BondColor, unsigned char);
237 vtkSetVector3Macro(BondColor, unsigned char);
239
241
244 vtkGetMacro(BondRadius, float);
245 vtkSetMacro(BondRadius, float);
247
249
253 vtkGetVector3Macro(LatticeColor, unsigned char);
254 vtkSetVector3Macro(LatticeColor, unsigned char);
256
258
263 vtkSelection* selection, vtkIdTypeArray* atomIds, vtkIdTypeArray* bondIds);
264 virtual void GetSelectedAtoms(vtkSelection* selection, vtkIdTypeArray* atomIds)
265 {
266 this->GetSelectedAtomsAndBonds(selection, atomIds, nullptr);
267 }
268 virtual void GetSelectedBonds(vtkSelection* selection, vtkIdTypeArray* bondIds)
269 {
270 this->GetSelectedAtomsAndBonds(selection, nullptr, bondIds);
271 }
273
275
278 void Render(vtkRenderer*, vtkActor*) override;
280 double* GetBounds() override;
281 void GetBounds(double bounds[6]) override { vtkAbstractMapper3D::GetBounds(bounds); }
282 int FillInputPortInformation(int port, vtkInformation* info) override;
283 bool GetSupportsSelection() override { return true; }
285
287
291 vtkGetStringMacro(AtomicRadiusArrayName);
292 vtkSetStringMacro(AtomicRadiusArrayName);
294
299 virtual void SetMapScalars(bool map);
300
304 vtkPeriodicTable* GetPeriodicTable() { return this->PeriodicTable; }
305
306protected:
309
311
319 unsigned char AtomColor[3];
321
323
330 unsigned char BondColor[3];
332
334
339
341
349 virtual void UpdateGlyphPolyData();
353
355
361
362 unsigned char LatticeColor[3];
365 virtual void UpdateLatticePolyData();
366
371
372private:
373 vtkMoleculeMapper(const vtkMoleculeMapper&) = delete;
374 void operator=(const vtkMoleculeMapper&) = delete;
375};
376
377#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:46
vtkGlyph3D on the GPU.
dynamic, self-adjusting array of vtkIdType
a simple class to control print indentation
Definition: vtkIndent.h:34
Store vtkAlgorithm input/output information.
abstract class specifies interface to map data to graphics primitives
Definition: vtkMapper.h:82
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:92
Allocate and hold a VTK object.
Definition: vtkNew.h:56
Access to information about the elements.
map vtkPolyData to graphics primitives
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition: vtkPolyData.h:86
abstract specification for renderers
Definition: vtkRenderer.h:73
data object that represents a "selection" in VTK.
Definition: vtkSelection.h:54
create a polygonal sphere centered at the origin
Producer for stand-alone data objects.
window superclass for vtkRenderWindow
Definition: vtkWindow.h:39