VTK  9.0.1
vtkPeriodicTable.h
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1 /*=========================================================================
2 
3  Program: Visualization Toolkit
4  Module: vtkPeriodicTable.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 =========================================================================*/
26 #ifndef vtkPeriodicTable_h
27 #define vtkPeriodicTable_h
28 
29 #include "vtkDomainsChemistryModule.h" // For export macro
30 #include "vtkNew.h" // Needed for the static data member
31 #include "vtkObject.h"
32 
33 class vtkBlueObeliskData;
34 class vtkColor3f;
35 class vtkLookupTable;
36 class vtkStdString;
37 
38 class VTKDOMAINSCHEMISTRY_EXPORT vtkPeriodicTable : public vtkObject
39 {
40 public:
41  vtkTypeMacro(vtkPeriodicTable, vtkObject);
42  void PrintSelf(ostream& os, vtkIndent indent) override;
43  static vtkPeriodicTable* New();
44 
46 
50  vtkGetNewMacro(BlueObeliskData, vtkBlueObeliskData);
52 
56  unsigned short GetNumberOfElements();
57 
62  const char* GetSymbol(unsigned short atomicNum);
63 
67  const char* GetElementName(unsigned short atomicNum);
68 
70 
74  unsigned short GetAtomicNumber(const vtkStdString& str);
75  unsigned short GetAtomicNumber(const char* str);
77 
81  float GetCovalentRadius(unsigned short atomicNum);
82 
87  float GetVDWRadius(unsigned short atomicNum);
88 
93  float GetMaxVDWRadius();
94 
99  void GetDefaultLUT(vtkLookupTable*);
100 
105  void GetDefaultRGBTuple(unsigned short atomicNum, float rgb[3]);
106 
111  vtkColor3f GetDefaultRGBTuple(unsigned short atomicNum);
112 
113 protected:
115  ~vtkPeriodicTable() override;
116 
118 
119 private:
120  vtkPeriodicTable(const vtkPeriodicTable&) = delete;
121  void operator=(const vtkPeriodicTable&) = delete;
122 };
123 
124 #endif
Wrapper around std::string to keep symbols short.
Definition: vtkStdString.h:34
Access to information about the elements.
static vtkNew< vtkBlueObeliskData > BlueObeliskData
abstract base class for most VTK objects
Definition: vtkObject.h:62
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
map scalar values into colors via a lookup table
a simple class to control print indentation
Definition: vtkIndent.h:33
static vtkObject * New()
Create an object with Debug turned off, modified time initialized to zero, and reference counting on...
Contains chemical data from the Blue Obelisk Data Repository.