VTK  9.2.5
vtkProteinRibbonFilter.h
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1/*=========================================================================
2
3 Program: Visualization Toolkit
4 Module: vtkProteinRibbonFilter.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=========================================================================*/
15
16#ifndef vtkProteinRibbonFilter_h
17#define vtkProteinRibbonFilter_h
18
30#include "vtkDomainsChemistryModule.h" // for export macro
32
33#include "vtkColor.h" // For vtkColor3ub.
34#include <map> // For element to color map.
35
36class vtkVector3f;
37class vtkStringArray;
38
39class VTKDOMAINSCHEMISTRY_EXPORT vtkProteinRibbonFilter : public vtkPolyDataAlgorithm
40{
41public:
43 void PrintSelf(ostream& os, vtkIndent indent) override;
44
46
48
51 vtkGetMacro(CoilWidth, float);
52 vtkSetMacro(CoilWidth, float);
54
56
59 vtkGetMacro(HelixWidth, float);
60 vtkSetMacro(HelixWidth, float);
62
64
67 vtkGetMacro(SubdivideFactor, int);
68 vtkSetMacro(SubdivideFactor, int);
70
72
75 vtkGetMacro(DrawSmallMoleculesAsSpheres, bool);
76 vtkSetMacro(DrawSmallMoleculesAsSpheres, bool);
78
80
83 vtkGetMacro(SphereResolution, int);
84 vtkSetMacro(SphereResolution, int);
86
87protected:
90
92
94
96 std::vector<std::pair<vtkVector3f, bool>>& p1, std::vector<std::pair<vtkVector3f, bool>>& p2,
97 std::vector<vtkColor3ub>& colors);
98
99 void CreateAtomAsSphere(vtkPolyData* poly, vtkUnsignedCharArray* pointsColors, double* pos,
100 const vtkColor3ub& color, float radius, float scale);
101
102 static std::vector<vtkVector3f>* Subdivide(std::vector<std::pair<vtkVector3f, bool>>& p, int div);
103
104 void SetColorByAtom(std::vector<vtkColor3ub>& colors, vtkStringArray* atomTypes);
105
106 void SetColorByStructure(std::vector<vtkColor3ub>& colors, vtkStringArray* atomTypes,
107 vtkUnsignedCharArray* ss, const vtkColor3ub& helixColor, const vtkColor3ub& sheetColor);
108
109 std::map<std::string, vtkColor3ub> ElementColors;
110
116
117private:
119 void operator=(const vtkProteinRibbonFilter&) = delete;
120};
121
122#endif // vtkProteinRibbonFilter_h
Some derived classes for the different colors commonly used.
Definition: vtkColor.h:195
a simple class to control print indentation
Definition: vtkIndent.h:40
Store zero or more vtkInformation instances.
Store vtkAlgorithm input/output information.
represent and manipulate 3D points
Definition: vtkPoints.h:40
Superclass for algorithms that produce only polydata as output.
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition: vtkPolyData.h:91
generates protein ribbons
~vtkProteinRibbonFilter() override
void SetColorByStructure(std::vector< vtkColor3ub > &colors, vtkStringArray *atomTypes, vtkUnsignedCharArray *ss, const vtkColor3ub &helixColor, const vtkColor3ub &sheetColor)
void SetColorByAtom(std::vector< vtkColor3ub > &colors, vtkStringArray *atomTypes)
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
static std::vector< vtkVector3f > * Subdivide(std::vector< std::pair< vtkVector3f, bool > > &p, int div)
void CreateThinStrip(vtkPolyData *poly, vtkUnsignedCharArray *pointsColors, vtkPoints *p, std::vector< std::pair< vtkVector3f, bool > > &p1, std::vector< std::pair< vtkVector3f, bool > > &p2, std::vector< vtkColor3ub > &colors)
std::map< std::string, vtkColor3ub > ElementColors
int FillInputPortInformation(int, vtkInformation *) override
Fill the input port information objects for this algorithm.
int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *) override
This is called by the superclass.
static vtkProteinRibbonFilter * New()
void CreateAtomAsSphere(vtkPolyData *poly, vtkUnsignedCharArray *pointsColors, double *pos, const vtkColor3ub &color, float radius, float scale)
a vtkAbstractArray subclass for strings
dynamic, self-adjusting array of unsigned char