vtkPeriodicTable.h

Go to the documentation of this file.

/*=========================================================================

  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 "vtkObject.h"
#include "vtkNew.h" // Needed for the static data member

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