26#ifndef vtkOpenQubeMoleculeSource_h
27#define vtkOpenQubeMoleculeSource_h
30#include "vtkDomainsChemistryModule.h"
a simple class to control print indentation
class describing a molecule
void CopyOQMoleculeToVtkMolecule(const OpenQube::Molecule *oqmol, vtkMolecule *mol)
Copy the OpenQube::Molecule object oqmol into the provided vtkMolecule object mol.
int RequestData(vtkInformation *, vtkInformationVector **, vtkInformationVector *)
void SetOutput(vtkMolecule *)
Get/Set the output (vtkMolecule) that the reader will fill.
int FillOutputPortInformation(int, vtkInformation *)
Fill the output port information objects for this algorithm.
virtual void SetBasisSet(OpenQube::BasisSet *b)
Get/Set the OpenQube BasisSet object to read from.
vtkGetFilePathMacro(FileName)
Get/Set the name of the OpenQube readable file.
vtkSetFilePathMacro(FileName)
Get/Set the name of the OpenQube readable file.
void PrintSelf(ostream &os, vtkIndent indent)
Methods invoked by print to print information about the object including superclasses.
vtkMolecule * GetOutput()
Get/Set the output (vtkMolecule) that the reader will fill.
~vtkOpenQubeMoleculeSource()
OpenQube::BasisSet * BasisSet
vtkOpenQubeMoleculeSource()
static vtkOpenQubeMoleculeSource * New()