vtkProgrammableElectronicData.h

Go to the documentation of this file.

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

  Program:   Visualization Toolkit
  Module:    vtkProgrammableElectronicData.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 vtkProgrammableElectronicData_h
#define vtkProgrammableElectronicData_h

#include "vtkDomainsChemistryModule.h" // For export macro
#include "vtkAbstractElectronicData.h"

class vtkImageData;

class StdVectorOfImageDataPointers;

class VTKDOMAINSCHEMISTRY_EXPORT vtkProgrammableElectronicData
    : public vtkAbstractElectronicData
{
public:
  static vtkProgrammableElectronicData *New();
  vtkTypeMacro(vtkProgrammableElectronicData,vtkAbstractElectronicData);
  void PrintSelf(ostream& os, vtkIndent indent) override;


  vtkIdType GetNumberOfMOs() override;
  virtual void SetNumberOfMOs(vtkIdType);


  vtkIdType GetNumberOfElectrons() override
  {
    return this->NumberOfElectrons;
  }
  vtkSetMacro(NumberOfElectrons, vtkIdType);


  vtkImageData * GetMO(vtkIdType orbitalNumber) override;
  void SetMO(vtkIdType orbitalNumber, vtkImageData *data);


  vtkImageData* GetElectronDensity() override
  {
    return this->ElectronDensity;
  }
  virtual void SetElectronDensity(vtkImageData *);


  vtkSetMacro(Padding, double);

  void DeepCopy(vtkDataObject *obj) override;

protected:
  vtkProgrammableElectronicData();
  ~vtkProgrammableElectronicData() override;

  vtkIdType NumberOfElectrons;


  StdVectorOfImageDataPointers *MOs;
  vtkImageData *ElectronDensity;

private:
  vtkProgrammableElectronicData(const vtkProgrammableElectronicData&) = delete;
  void operator=(const vtkProgrammableElectronicData&) = delete;
};

#endif