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