read Molecular Data files More...

#include <vtkMoleculeReaderBase.h>

Inheritance diagram for vtkMoleculeReaderBase:

Collaboration diagram for vtkMoleculeReaderBase:

Public Types
typedef vtkPolyDataAlgorithm	Superclass
Public Member Functions
virtual int	IsA (const char *type)
vtkMoleculeReaderBase *	NewInstance () const
void	PrintSelf (ostream &os, vtkIndent indent)
virtual void	SetFileName (const char *)
virtual char *	GetFileName ()
virtual int	GetNumberOfAtoms ()

virtual void	SetBScale (double)
virtual double	GetBScale ()

virtual void	SetHBScale (double)
virtual double	GetHBScale ()
Static Public Member Functions
static int	IsTypeOf (const char *type)
static vtkMoleculeReaderBase *	SafeDownCast (vtkObjectBase *o)
Protected Member Functions
virtual vtkObjectBase *	NewInstanceInternal () const
	vtkMoleculeReaderBase ()
	~vtkMoleculeReaderBase ()
virtual int	FillOutputPortInformation (int, vtkInformation *)
virtual int	RequestData (vtkInformation , vtkInformationVector , vtkInformationVector )
int	ReadMolecule (FILE fp, vtkPolyData output)
int	MakeAtomType (const char *atype)
int	MakeBonds (vtkPoints , vtkIdTypeArray , vtkCellArray *)
virtual void	ReadSpecificMolecule (FILE *fp)=0
Protected Attributes
char *	FileName
double	BScale
double	HBScale
int	NumberOfAtoms
vtkMolecule *	Molecule
vtkPoints *	Points
vtkUnsignedCharArray *	RGB
vtkFloatArray *	Radii
vtkIdTypeArray *	AtomType
vtkStringArray *	AtomTypeStrings
vtkIdTypeArray *	Residue
vtkUnsignedCharArray *	Chain
vtkUnsignedCharArray *	SecondaryStructures
vtkUnsignedCharArray *	SecondaryStructuresBegin
vtkUnsignedCharArray *	SecondaryStructuresEnd
vtkUnsignedCharArray *	IsHetatm

Detailed Description

read Molecular Data files

vtkMoleculeReaderBase is a source object that reads Molecule files The FileName must be specified

Thanks:: Dr. Jean M. Favre who developed and contributed this class

Definition at line 40 of file vtkMoleculeReaderBase.h.

Member Typedef Documentation

typedef vtkPolyDataAlgorithm vtkMoleculeReaderBase::Superclass

Reimplemented from vtkPolyDataAlgorithm.

Reimplemented in vtkGaussianCubeReader, vtkPDBReader, and vtkXYZMolReader.

Definition at line 43 of file vtkMoleculeReaderBase.h.

Constructor & Destructor Documentation

vtkMoleculeReaderBase::vtkMoleculeReaderBase ( ) [protected]

vtkMoleculeReaderBase::~vtkMoleculeReaderBase ( ) [protected]

Member Function Documentation

static int vtkMoleculeReaderBase::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 vtkPolyDataAlgorithm.

Reimplemented in vtkGaussianCubeReader, vtkPDBReader, and vtkXYZMolReader.

virtual int vtkMoleculeReaderBase::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 vtkPolyDataAlgorithm.

Reimplemented in vtkGaussianCubeReader, vtkPDBReader, and vtkXYZMolReader.

static vtkMoleculeReaderBase* vtkMoleculeReaderBase::SafeDownCast ( vtkObjectBase * o ) [static]

Reimplemented from vtkPolyDataAlgorithm.

Reimplemented in vtkGaussianCubeReader, vtkPDBReader, and vtkXYZMolReader.

virtual vtkObjectBase* vtkMoleculeReaderBase::NewInstanceInternal ( ) const [protected, virtual]

Reimplemented from vtkPolyDataAlgorithm.

Reimplemented in vtkGaussianCubeReader, vtkPDBReader, and vtkXYZMolReader.

vtkMoleculeReaderBase* vtkMoleculeReaderBase::NewInstance ( ) const

Reimplemented from vtkPolyDataAlgorithm.

Reimplemented in vtkGaussianCubeReader, vtkPDBReader, and vtkXYZMolReader.

void vtkMoleculeReaderBase::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 vtkPolyDataAlgorithm.

Reimplemented in vtkGaussianCubeReader, vtkPDBReader, and vtkXYZMolReader.

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

Reimplemented in vtkGaussianCubeReader.

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

Reimplemented in vtkGaussianCubeReader.

virtual void vtkMoleculeReaderBase::SetBScale ( double ) [virtual]

A scaling factor to compute bonds between non-hydrogen atoms

virtual double vtkMoleculeReaderBase::GetBScale ( ) [virtual]

A scaling factor to compute bonds between non-hydrogen atoms

virtual void vtkMoleculeReaderBase::SetHBScale ( double ) [virtual]

A scaling factor to compute bonds with hydrogen atoms.

virtual double vtkMoleculeReaderBase::GetHBScale ( ) [virtual]

A scaling factor to compute bonds with hydrogen atoms.

virtual int vtkMoleculeReaderBase::GetNumberOfAtoms ( ) [virtual]

virtual int vtkMoleculeReaderBase::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 vtkPolyDataAlgorithm.

Reimplemented in vtkGaussianCubeReader.

virtual int vtkMoleculeReaderBase::RequestData	(	vtkInformation *	request,
		vtkInformationVector **	inputVector,
		vtkInformationVector *	outputVector
	)		`[protected, virtual]`