26 #ifndef vtkOpenQubeMoleculeSource_h 27 #define vtkOpenQubeMoleculeSource_h 29 #include "vtkDomainsChemistryModule.h" 45 void PrintSelf(ostream& os,
vtkIndent indent);
62 vtkSetStringMacro(FileName);
73 virtual void SetBasisSet(OpenQube::BasisSet *b);
74 vtkGetMacro(BasisSet, OpenQube::BasisSet*);
85 vtkGetMacro(CleanUpBasisSet,
bool);
105 void CopyOQMoleculeToVtkMolecule(
const OpenQube::Molecule *oqmol,
class describing a molecule
Read a OpenQube readable file and output a vtkMolecule object.
helper superclass for objects that read vtk data files
a simple class to control print indentation
vtkGetStringMacro(ExtensionsString)
Returns a string listing all available extensions.
vtkSetMacro(IgnoreDriverBugs, bool)
When set known driver bugs are ignored during driver feature detection.
vtkBooleanMacro(IgnoreDriverBugs, bool)
When set known driver bugs are ignored during driver feature detection.
OpenQube::BasisSet * BasisSet