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26 #ifndef vtkOpenQubeMoleculeSource_h
27 #define vtkOpenQubeMoleculeSource_h
29 #include "vtkDomainsChemistryModule.h"
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,
helper superclass for objects that read vtk data files
virtual int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *)
OpenQube::BasisSet * BasisSet
void PrintSelf(ostream &os, vtkIndent indent)
Methods invoked by print to print information about the object including superclasses.
Read a OpenQube readable file and output a vtkMolecule object.
a simple class to control print indentation
static vtkDataReader * New()
vtkGetStringMacro(ExtensionsString)
Returns a string listing all available extensions.
class describing a molecule
vtkBooleanMacro(IgnoreDriverBugs, bool)
Updates the extensions string.
vtkSetMacro(IgnoreDriverBugs, bool)
Updates the extensions string.
virtual int FillOutputPortInformation(int port, vtkInformation *info)
Fill the output port information objects for this algorithm.