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Read a OpenQube readable file and output a vtkMolecule object. More...
#include <vtkOpenQubeMoleculeSource.h>
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 |
Read a OpenQube readable file and output a vtkMolecule object.
Definition at line 38 of file vtkOpenQubeMoleculeSource.h.
Reimplemented from vtkDataReader.
Definition at line 42 of file vtkOpenQubeMoleculeSource.h.
vtkOpenQubeMoleculeSource::vtkOpenQubeMoleculeSource | ( | ) | [protected] |
vtkOpenQubeMoleculeSource::~vtkOpenQubeMoleculeSource | ( | ) | [protected] |
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.
Reimplemented from vtkDataReader.
virtual char* vtkOpenQubeMoleculeSource::GetFileName | ( | ) | [virtual] |
Get/Set the name of the OpenQube readable file.
Reimplemented from vtkDataReader.
virtual void vtkOpenQubeMoleculeSource::SetBasisSet | ( | OpenQube::BasisSet * | b | ) | [virtual] |
virtual OpenQube::BasisSet* vtkOpenQubeMoleculeSource::GetBasisSet | ( | ) | [virtual] |
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.
void vtkOpenQubeMoleculeSource::CopyOQMoleculeToVtkMolecule | ( | const OpenQube::Molecule * | oqmol, |
vtkMolecule * | mol | ||
) | [protected] |
Copy the OpenQube::Molecule object oqmol into the provided vtkMolecule object mol.
char* vtkOpenQubeMoleculeSource::FileName [protected] |
Reimplemented from vtkDataReader.
Definition at line 87 of file vtkOpenQubeMoleculeSource.h.
OpenQube::BasisSet* vtkOpenQubeMoleculeSource::BasisSet [protected] |
Definition at line 88 of file vtkOpenQubeMoleculeSource.h.
bool vtkOpenQubeMoleculeSource::CleanUpBasisSet [protected] |
Definition at line 89 of file vtkOpenQubeMoleculeSource.h.