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