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vtkOpenQubeMoleculeSource Class Reference

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

#include <vtkOpenQubeMoleculeSource.h>

Inherits vtkDataReader.

Public Types

typedef vtkDataReader Superclass
 

Public Member Functions

virtual int IsA (const char *type)
 
vtkOpenQubeMoleculeSourceNewInstance () const
 
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 vtkOpenQubeMoleculeSourceNew ()
 
static int IsTypeOf (const char *type)
 
static vtkOpenQubeMoleculeSourceSafeDownCast (vtkObjectBase *o)
 

Protected Member Functions

virtual vtkObjectBaseNewInstanceInternal () const
 
 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 39 of file vtkOpenQubeMoleculeSource.h.

Member Typedef Documentation

Definition at line 43 of file vtkOpenQubeMoleculeSource.h.

Constructor & Destructor Documentation

vtkOpenQubeMoleculeSource::vtkOpenQubeMoleculeSource ( )
protected
vtkOpenQubeMoleculeSource::~vtkOpenQubeMoleculeSource ( )
protected

Member Function Documentation

static vtkOpenQubeMoleculeSource* vtkOpenQubeMoleculeSource::New ( )
static
static int vtkOpenQubeMoleculeSource::IsTypeOf ( const char *  type)
static
virtual int vtkOpenQubeMoleculeSource::IsA ( const char *  type)
virtual
static vtkOpenQubeMoleculeSource* vtkOpenQubeMoleculeSource::SafeDownCast ( vtkObjectBase o)
static
virtual vtkObjectBase* vtkOpenQubeMoleculeSource::NewInstanceInternal ( ) const
protectedvirtual
vtkOpenQubeMoleculeSource* vtkOpenQubeMoleculeSource::NewInstance ( ) const
void vtkOpenQubeMoleculeSource::PrintSelf ( ostream &  os,
vtkIndent  indent 
)
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.
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.
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
int vtkOpenQubeMoleculeSource::FillOutputPortInformation ( int  ,
vtkInformation  
)
protected
void vtkOpenQubeMoleculeSource::CopyOQMoleculeToVtkMolecule ( const OpenQube::Molecule *  oqmol,
vtkMolecule *  mol 
)
protected

Copy the OpenQube::Molecule object oqmol into the provided vtkMolecule object mol.

Member Data Documentation

char* vtkOpenQubeMoleculeSource::FileName
protected

Definition at line 88 of file vtkOpenQubeMoleculeSource.h.

OpenQube::BasisSet* vtkOpenQubeMoleculeSource::BasisSet
protected

Definition at line 89 of file vtkOpenQubeMoleculeSource.h.

bool vtkOpenQubeMoleculeSource::CleanUpBasisSet
protected

Definition at line 90 of file vtkOpenQubeMoleculeSource.h.


The documentation for this class was generated from the following file: