24 #ifndef vtkAbstractElectronicData_h
25 #define vtkAbstractElectronicData_h
42 virtual vtkIdType GetNumberOfElectrons() = 0;
62 return static_cast<vtkIdType>((this->GetNumberOfElectrons() / 2 ) - 1);
69 return static_cast<vtkIdType>( this->GetNumberOfElectrons() / 2 );
77 return (orbitalNumber == this->GetHOMOOrbitalNumber());
86 return (orbitalNumber == this->GetLUMOOrbitalNumber());
96 vtkGetMacro(Padding,
double);
bool IsLUMO(vtkIdType orbitalNumber)
Provides access to and storage of chemical electronic data.
vtkIdType GetHOMOOrbitalNumber()
a simple class to control print indentation
bool IsHOMO(vtkIdType orbitalNumber)
topologically and geometrically regular array of data
void PrintSelf(ostream &os, vtkIndent indent)
general representation of visualization data
vtkIdType GetLUMOOrbitalNumber()
virtual void DeepCopy(vtkDataObject *src)
#define VTKCOMMONDATAMODEL_EXPORT