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