23 #ifndef __vtkProgrammableElectronicData_h
24 #define __vtkProgrammableElectronicData_h
26 #include "vtkDomainsChemistryModule.h"
27 #include "vtkAbstractElectronicData.h"
31 class StdVectorOfImageDataPointers;
34 :
public vtkAbstractElectronicData
39 void PrintSelf(ostream& os, vtkIndent indent);
44 virtual vtkIdType GetNumberOfMOs();
45 virtual void SetNumberOfMOs(vtkIdType);
51 vtkGetMacro(NumberOfElectrons, vtkIdType);
52 vtkSetMacro(NumberOfElectrons, vtkIdType);
57 virtual vtkImageData * GetMO(vtkIdType orbitalNumber);
58 void SetMO(vtkIdType orbitalNumber, vtkImageData *data);
63 vtkGetObjectMacro(ElectronDensity, vtkImageData);
64 virtual void SetElectronDensity(vtkImageData *);
70 vtkSetMacro(Padding,
double);
71 vtkGetMacro(Padding,
double);
75 virtual void DeepCopy(vtkDataObject *obj);
86 StdVectorOfImageDataPointers *
MOs;
vtkIdType NumberOfElectrons
StdVectorOfImageDataPointers * MOs
Provides access to and storage of user-generated vtkImageData that describes electrons.
vtkImageData * ElectronDensity