26 #ifndef vtkOpenQubeMoleculeSource_h
27 #define vtkOpenQubeMoleculeSource_h
29 #include "vtkDomainsChemistryModule.h"
62 vtkSetStringMacro(FileName);
63 vtkGetStringMacro(FileName);
73 virtual void SetBasisSet(OpenQube::BasisSet *b);
74 vtkGetMacro(BasisSet, OpenQube::BasisSet*);
84 vtkSetMacro(CleanUpBasisSet,
bool);
85 vtkGetMacro(CleanUpBasisSet,
bool);
86 vtkBooleanMacro(CleanUpBasisSet,
bool);
105 void CopyOQMoleculeToVtkMolecule(
const OpenQube::Molecule *oqmol,