Read a OpenQube readable file and output a vtkMolecule object. More...

#include <vtkOpenQubeMoleculeSource.h>

Inheritance diagram for vtkOpenQubeMoleculeSource:

Collaboration diagram for vtkOpenQubeMoleculeSource:

Public Types
typedef vtkDataReader	Superclass
Public Member Functions
virtual const char *	GetClassName ()
virtual int	IsA (const char *type)
void	PrintSelf (ostream &os, vtkIndent indent)

vtkMolecule *	GetOutput ()
void	SetOutput (vtkMolecule *)

virtual void	SetFileName (const char *)
virtual char *	GetFileName ()

virtual void	SetBasisSet (OpenQube::BasisSet *b)
virtual OpenQube::BasisSet *	GetBasisSet ()

virtual void	SetCleanUpBasisSet (bool)
virtual bool	GetCleanUpBasisSet ()
virtual void	CleanUpBasisSetOn ()
virtual void	CleanUpBasisSetOff ()
Static Public Member Functions
static vtkOpenQubeMoleculeSource *	New ()
static int	IsTypeOf (const char *type)
static vtkOpenQubeMoleculeSource *	SafeDownCast (vtkObject *o)
Protected Member Functions
	vtkOpenQubeMoleculeSource ()
	~vtkOpenQubeMoleculeSource ()
int	RequestData (vtkInformation , vtkInformationVector , vtkInformationVector )
int	FillOutputPortInformation (int, vtkInformation *)

void	CopyOQMoleculeToVtkMolecule (const OpenQube::Molecule oqmol, vtkMolecule mol)
Protected Attributes
char *	FileName
OpenQube::BasisSet *	BasisSet
bool	CleanUpBasisSet

Detailed Description

Read a OpenQube readable file and output a vtkMolecule object.

Tests:: vtkOpenQubeMoleculeSource (Tests)

Definition at line 38 of file vtkOpenQubeMoleculeSource.h.

Member Typedef Documentation

typedef vtkDataReader vtkOpenQubeMoleculeSource::Superclass

Reimplemented from vtkDataReader.

Definition at line 42 of file vtkOpenQubeMoleculeSource.h.

Constructor & Destructor Documentation

vtkOpenQubeMoleculeSource::vtkOpenQubeMoleculeSource ( ) [protected]

vtkOpenQubeMoleculeSource::~vtkOpenQubeMoleculeSource ( ) [protected]

Member Function Documentation

static vtkOpenQubeMoleculeSource* vtkOpenQubeMoleculeSource::New ( ) [static]

Create an object with Debug turned off, modified time initialized to zero, and reference counting on.

Reimplemented from vtkDataReader.

virtual const char* vtkOpenQubeMoleculeSource::GetClassName ( ) [virtual]

Reimplemented from vtkDataReader.

static int vtkOpenQubeMoleculeSource::IsTypeOf ( const char * name ) [static]

Return 1 if this class type is the same type of (or a subclass of) the named class. Returns 0 otherwise. This method works in combination with vtkTypeMacro found in vtkSetGet.h.

Reimplemented from vtkDataReader.

virtual int vtkOpenQubeMoleculeSource::IsA ( const char * name ) [virtual]

Return 1 if this class is the same type of (or a subclass of) the named class. Returns 0 otherwise. This method works in combination with vtkTypeMacro found in vtkSetGet.h.

Reimplemented from vtkDataReader.

static vtkOpenQubeMoleculeSource* vtkOpenQubeMoleculeSource::SafeDownCast ( vtkObject * o ) [static]

Reimplemented from vtkDataReader.

void vtkOpenQubeMoleculeSource::PrintSelf	(	ostream &	os,
		vtkIndent	indent
	)		`[virtual]`

Methods invoked by print to print information about the object including superclasses. Typically not called by the user (use Print() instead) but used in the hierarchical print process to combine the output of several classes.

Reimplemented from vtkDataReader.

vtkMolecule* vtkOpenQubeMoleculeSource::GetOutput ( )

Get/Set the output (vtkMolecule) that the reader will fill

void vtkOpenQubeMoleculeSource::SetOutput ( vtkMolecule * )

Get/Set the output (vtkMolecule) that the reader will fill

virtual void vtkOpenQubeMoleculeSource::SetFileName ( const char * ) [virtual]

Get/Set the name of the OpenQube readable file.

Note:: : If both a source OpenQube BasisSet object and a FileName have been set with SetBasisSet and SetFileName, the object takes precedence over the file and the file will not be read.

Reimplemented from vtkDataReader.

virtual char* vtkOpenQubeMoleculeSource::GetFileName ( ) [virtual]

Get/Set the name of the OpenQube readable file.

Note:: : If both a source OpenQube BasisSet object and a FileName have been set with SetBasisSet and SetFileName, the object takes precedence over the file and the file will not be read.

Reimplemented from vtkDataReader.

virtual void vtkOpenQubeMoleculeSource::SetBasisSet ( OpenQube::BasisSet * b ) [virtual]

Get/Set the OpenQube BasisSet object to read from.

Note:: : If both a source OpenQube BasisSet object and a FileName have been set with SetBasisSet and SetFileName, the object takes precedence over the file and the file will not be read.

virtual OpenQube::BasisSet* vtkOpenQubeMoleculeSource::GetBasisSet ( ) [virtual]

Get/Set the OpenQube BasisSet object to read from.

Note:: : If both a source OpenQube BasisSet object and a FileName have been set with SetBasisSet and SetFileName, the object takes precedence over the file and the file will not be read.

virtual void vtkOpenQubeMoleculeSource::SetCleanUpBasisSet ( bool ) [virtual]

Get/Set whether or not to take ownership of the BasisSet object. Defaults to false when SetBasisSet is used and true when the basis is read from a file set by SetFileName. Destroying this class or setting a new BasisSet or FileName will delete the BasisSet if true.

virtual bool vtkOpenQubeMoleculeSource::GetCleanUpBasisSet ( ) [virtual]

Get/Set whether or not to take ownership of the BasisSet object. Defaults to false when SetBasisSet is used and true when the basis is read from a file set by SetFileName. Destroying this class or setting a new BasisSet or FileName will delete the BasisSet if true.

virtual void vtkOpenQubeMoleculeSource::CleanUpBasisSetOn ( ) [virtual]

Get/Set whether or not to take ownership of the BasisSet object. Defaults to false when SetBasisSet is used and true when the basis is read from a file set by SetFileName. Destroying this class or setting a new BasisSet or FileName will delete the BasisSet if true.

virtual void vtkOpenQubeMoleculeSource::CleanUpBasisSetOff ( ) [virtual]

Get/Set whether or not to take ownership of the BasisSet object. Defaults to false when SetBasisSet is used and true when the basis is read from a file set by SetFileName. Destroying this class or setting a new BasisSet or FileName will delete the BasisSet if true.

int vtkOpenQubeMoleculeSource::RequestData	(	vtkInformation *	,
		vtkInformationVector **	,
		vtkInformationVector *
	)		`[protected, virtual]`

Reimplemented from vtkDataReader.

int vtkOpenQubeMoleculeSource::FillOutputPortInformation	(	int	port,
		vtkInformation *	info
	)		`[protected, virtual]`

Fill the output port information objects for this algorithm. This is invoked by the first call to GetOutputPortInformation for each port so subclasses can specify what they can handle.

Reimplemented from vtkAlgorithm.