vtkPeriodicTable.h

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// SPDX-FileCopyrightText: Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen
// SPDX-License-Identifier: BSD-3-Clause
#ifndef vtkPeriodicTable_h
#define vtkPeriodicTable_h
 
#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkNew.h"                    // Needed for the static data member
#include "vtkObject.h"
 
VTK_ABI_NAMESPACE_BEGIN
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;
};
 
VTK_ABI_NAMESPACE_END
#endif