23 #ifndef vtkOpenQubeMoleculeSource_h
24 #define vtkOpenQubeMoleculeSource_h
27 #include "vtkDomainsChemistryModule.h"
59 vtkSetStringMacro(FileName);
60 vtkGetStringMacro(FileName);
70 virtual void SetBasisSet(OpenQube::BasisSet* b);
71 vtkGetMacro(BasisSet, OpenQube::BasisSet*);
81 vtkSetMacro(CleanUpBasisSet,
bool);
82 vtkGetMacro(CleanUpBasisSet,
bool);
83 vtkBooleanMacro(CleanUpBasisSet,
bool);
101 void CopyOQMoleculeToVtkMolecule(
const OpenQube::Molecule* oqmol,
vtkMolecule* mol);