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21 #ifndef vtkProgrammableElectronicData_h
22 #define vtkProgrammableElectronicData_h
24 #include "vtkDomainsChemistryModule.h"
29 class StdVectorOfImageDataPointers;
55 return this->NumberOfElectrons;
57 vtkSetMacro(NumberOfElectrons,
vtkIdType);
74 return this->ElectronDensity;
84 vtkSetMacro(Padding,
double);
105 StdVectorOfImageDataPointers *
MOs;
Provides access to and storage of user-generated vtkImageData that describes electrons.
vtkIdType NumberOfElectrons
Electronic data set property.
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
vtkIdType GetNumberOfElectrons() override
Get/Set the number of electrons in the molecule.
virtual vtkIdType GetNumberOfMOs()=0
Returns the number of molecular orbitals available.
Provides access to and storage of chemical electronic data.
topologically and geometrically regular array of data
a simple class to control print indentation
StdVectorOfImageDataPointers * MOs
Storage for the vtkImageData objects.
void DeepCopy(vtkDataObject *obj) override
Deep copies the data object into this.
virtual vtkImageData * GetMO(vtkIdType orbitalNumber)=0
Returns the vtkImageData for the requested molecular orbital.
general representation of visualization data
vtkImageData * GetElectronDensity() override
Get/Set the vtkImageData for the molecule's electron density.
static vtkDataObject * New()
vtkImageData * ElectronDensity