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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
31 #include "vtkPolyDataAlgorithm.h"
32 
33 #include "vtkColor.h" // For vtkColor3ub.
34 #include <map> // For element to color map.
35 
36 class vtkVector3f;
37 class vtkStringArray;
38 
39 class VTKDOMAINSCHEMISTRY_EXPORT vtkProteinRibbonFilter
40  : public vtkPolyDataAlgorithm
41 {
42 public:
44  void PrintSelf(ostream& os, vtkIndent indent) override;
45 
46  static vtkProteinRibbonFilter* New();
47 
49 
52  vtkGetMacro(CoilWidth, float);
53  vtkSetMacro(CoilWidth, float);
55 
57 
60  vtkGetMacro(HelixWidth, float);
61  vtkSetMacro(HelixWidth, float);
63 
65 
68  vtkGetMacro(SubdivideFactor, int);
69  vtkSetMacro(SubdivideFactor, int);
71 
73 
76  vtkGetMacro(DrawSmallMoleculesAsSpheres, bool);
77  vtkSetMacro(DrawSmallMoleculesAsSpheres, bool);
79 
81 
84  vtkGetMacro(SphereResolution, int);
85  vtkSetMacro(SphereResolution, int);
87 
88 protected:
90  ~vtkProteinRibbonFilter() override;
91 
92  int FillInputPortInformation(int, vtkInformation*) override;
93 
96  vtkInformationVector *) override;
97 
98  void CreateThinStrip(vtkPolyData* poly, vtkUnsignedCharArray *pointsColors,
99  vtkPoints* p, std::vector<std::pair<vtkVector3f, bool> >& p1,
100  std::vector<std::pair<vtkVector3f, bool> >& p2,
101  std::vector<vtkColor3ub> &colors);
102 
103  void CreateAtomAsSphere(vtkPolyData* poly, vtkUnsignedCharArray *pointsColors,
104  double *pos, const vtkColor3ub& color, float radius,
105  float scale);
106 
107  static std::vector<vtkVector3f>* Subdivide(std::vector<std::pair<vtkVector3f, bool> >& p,
108  int div);
109 
110  void SetColorByAtom(std::vector<vtkColor3ub>& colors, vtkStringArray* atomTypes);
111 
112  void SetColorByStructure(std::vector<vtkColor3ub>& colors,
113  vtkStringArray* atomTypes, vtkUnsignedCharArray* ss,
114  const vtkColor3ub& helixColor,
115  const vtkColor3ub& sheetColor);
116 
117  std::map<std::string, vtkColor3ub> ElementColors;
118 
119  float CoilWidth;
120  float HelixWidth;
124 
125 private:
127  void operator=(const vtkProteinRibbonFilter&) = delete;
128 };
129 
130 #endif // vtkProteinRibbonFilter_h
vtkPoints
represent and manipulate 3D points
Definition: vtkPoints.h:39
vtkProteinRibbonFilter::SphereResolution
int SphereResolution
Definition: vtkProteinRibbonFilter.h:121
vtkX3D::vector
Definition: vtkX3D.h:237
vtkProteinRibbonFilter::HelixWidth
float HelixWidth
Definition: vtkProteinRibbonFilter.h:120
vtkX3D::scale
Definition: vtkX3D.h:229
vtkInformationVector
Store zero or more vtkInformation instances.
Definition: vtkInformationVector.h:41
vtkUnsignedCharArray
dynamic, self-adjusting array of unsigned char
Definition: vtkUnsignedCharArray.h:41
vtkPolyDataAlgorithm::PrintSelf
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
vtkPolyDataAlgorithm.h
vtkX3D::color
Definition: vtkX3D.h:221
vtkPolyDataAlgorithm::RequestData
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
vtkVector3f
Definition: vtkVector.h:452
vtkColor.h
vtkIndent
a simple class to control print indentation
Definition: vtkIndent.h:39
vtkPolyDataAlgorithm::FillInputPortInformation
int FillInputPortInformation(int port, vtkInformation *info) override
Fill the input port information objects for this algorithm.
vtkProteinRibbonFilter
generates protein ribbons
Definition: vtkProteinRibbonFilter.h:39
vtkInformation
Store vtkAlgorithm input/output information.
Definition: vtkInformation.h:86
vtkColor3ub
Some derived classes for the different colors commonly used.
Definition: vtkColor.h:194
vtkProteinRibbonFilter::DrawSmallMoleculesAsSpheres
bool DrawSmallMoleculesAsSpheres
Definition: vtkProteinRibbonFilter.h:123
vtkPolyData
concrete dataset represents vertices, lines, polygons, and triangle strips
Definition: vtkPolyData.h:85
vtkStringArray
a vtkAbstractArray subclass for strings
Definition: vtkStringArray.h:42
vtkX3D::radius
Definition: vtkX3D.h:252
vtkProteinRibbonFilter::SubdivideFactor
int SubdivideFactor
Definition: vtkProteinRibbonFilter.h:122
vtkPolyDataAlgorithm::New
static vtkPolyDataAlgorithm * New()
vtkProteinRibbonFilter::CoilWidth
float CoilWidth
Definition: vtkProteinRibbonFilter.h:119
vtkProteinRibbonFilter::ElementColors
std::map< std::string, vtkColor3ub > ElementColors
Definition: vtkProteinRibbonFilter.h:117
vtkPolyDataAlgorithm
Superclass for algorithms that produce only polydata as output.
Definition: vtkPolyDataAlgorithm.h:44