vtkPeriodicTable.h

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/*=========================================================================
 
  Program:   Visualization Toolkit
  Module:    vtkPeriodicTable.h
 
  Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
  All rights reserved.
  See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
 
     This software is distributed WITHOUT ANY WARRANTY; without even
     the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
     PURPOSE.  See the above copyright notice for more information.
 
=========================================================================*/
#ifndef vtkPeriodicTable_h
#define vtkPeriodicTable_h
 
#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkNew.h"                    // Needed for the static data member
#include "vtkObject.h"
 
class vtkBlueObeliskData;
class vtkColor3f;
class vtkLookupTable;
class vtkStdString;
 
class VTKDOMAINSCHEMISTRY_EXPORT vtkPeriodicTable : public vtkObject
{
public:
  vtkTypeMacro(vtkPeriodicTable, vtkObject);
  void PrintSelf(ostream& os, vtkIndent indent) override;
  static vtkPeriodicTable* New();
 
 
  vtkGetNewMacro(BlueObeliskData, vtkBlueObeliskData);
 
  unsigned short GetNumberOfElements();
 
  const char* GetSymbol(unsigned short atomicNum);
 
  const char* GetElementName(unsigned short atomicNum);
 
 
  unsigned short GetAtomicNumber(const vtkStdString& str);
  unsigned short GetAtomicNumber(const char* str);
 
  float GetCovalentRadius(unsigned short atomicNum);
 
  float GetVDWRadius(unsigned short atomicNum);
 
  float GetMaxVDWRadius();
 
  void GetDefaultLUT(vtkLookupTable*);
 
  void GetDefaultRGBTuple(unsigned short atomicNum, float rgb[3]);
 
  vtkColor3f GetDefaultRGBTuple(unsigned short atomicNum);
 
protected:
  vtkPeriodicTable();
  ~vtkPeriodicTable() override;
 
  static vtkNew<vtkBlueObeliskData> BlueObeliskData;
 
private:
  vtkPeriodicTable(const vtkPeriodicTable&) = delete;
  void operator=(const vtkPeriodicTable&) = delete;
};
 
#endif