vtkProgrammableElectronicData Class Reference

Provides access to and storage of user-generated vtkImageData that describes electrons. More...

#include <vtkProgrammableElectronicData.h>

Inheritance diagram for vtkProgrammableElectronicData:

Collaboration diagram for vtkProgrammableElectronicData:

List of all members.

Public Types
typedef vtkAbstractElectronicData	Superclass
Public Member Functions
virtual int	IsA (const char *type)
vtkProgrammableElectronicData *	NewInstance () const
void	PrintSelf (ostream &os, vtkIndent indent)
virtual void	DeepCopy (vtkDataObject *obj)
virtual vtkIdType	GetNumberOfMOs ()
virtual void	SetNumberOfMOs (vtkIdType)
virtual vtkIdType	GetNumberOfElectrons ()
virtual void	SetNumberOfElectrons (vtkIdType)
virtual vtkImageData *	GetMO (vtkIdType orbitalNumber)
void	SetMO (vtkIdType orbitalNumber, vtkImageData *data)
virtual vtkImageData *	GetElectronDensity ()
virtual void	SetElectronDensity (vtkImageData *)
virtual void	SetPadding (double)
virtual double	GetPadding ()
Static Public Member Functions
static vtkProgrammableElectronicData *	New ()
static int	IsTypeOf (const char *type)
static vtkProgrammableElectronicData *	SafeDownCast (vtkObjectBase *o)
Protected Member Functions
virtual vtkObjectBase *	NewInstanceInternal () const
	vtkProgrammableElectronicData ()
	~vtkProgrammableElectronicData ()
Protected Attributes
vtkIdType	NumberOfElectrons
StdVectorOfImageDataPointers *	MOs
vtkImageData *	ElectronDensity

---

Detailed Description

Provides access to and storage of user-generated vtkImageData that describes electrons.

Tests:

vtkProgrammableElectronicData (Tests)

Definition at line 33 of file vtkProgrammableElectronicData.h.

---

Member Typedef Documentation

typedef vtkAbstractElectronicData vtkProgrammableElectronicData::Superclass

Reimplemented from vtkAbstractElectronicData.

Definition at line 38 of file vtkProgrammableElectronicData.h.

---

Constructor & Destructor Documentation

vtkProgrammableElectronicData::vtkProgrammableElectronicData

(

)

[protected]

vtkProgrammableElectronicData::~vtkProgrammableElectronicData

(

)

[protected]

---

Member Function Documentation

static vtkProgrammableElectronicData* vtkProgrammableElectronicData::New

(

)

[static]

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

Reimplemented from vtkDataObject.

static int vtkProgrammableElectronicData::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 vtkAbstractElectronicData.

virtual int vtkProgrammableElectronicData::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 vtkAbstractElectronicData.

static vtkProgrammableElectronicData* vtkProgrammableElectronicData::SafeDownCast

(

vtkObjectBase *

o

)

[static]

Reimplemented from vtkAbstractElectronicData.

virtual vtkObjectBase* vtkProgrammableElectronicData::NewInstanceInternal

(

)

const [protected, virtual]

Reimplemented from vtkAbstractElectronicData.

vtkProgrammableElectronicData* vtkProgrammableElectronicData::NewInstance

(

)

const

Reimplemented from vtkAbstractElectronicData.

void vtkProgrammableElectronicData::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 vtkAbstractElectronicData.

virtual vtkIdType vtkProgrammableElectronicData::GetNumberOfMOs

(

)

[virtual]

Get/Set the number of molecular orbitals. Setting this will resize this internal array of MOs.

Implements vtkAbstractElectronicData.

virtual void vtkProgrammableElectronicData::SetNumberOfMOs

(

vtkIdType

)

[virtual]

Get/Set the number of molecular orbitals. Setting this will resize this internal array of MOs.

virtual vtkIdType vtkProgrammableElectronicData::GetNumberOfElectrons

(

)

[virtual]

Get/Set the number of electrons in the molecule. Needed for HOMO/LUMO convenience functions

Implements vtkAbstractElectronicData.

virtual void vtkProgrammableElectronicData::SetNumberOfElectrons

(

vtkIdType

)

[virtual]

Get/Set the number of electrons in the molecule. Needed for HOMO/LUMO convenience functions

virtual vtkImageData* vtkProgrammableElectronicData::GetMO

(

vtkIdType

orbitalNumber

)

[virtual]

Get/Set the vtkImageData for the requested molecular orbital.

Implements vtkAbstractElectronicData.

void vtkProgrammableElectronicData::SetMO	(	vtkIdType	orbitalNumber,
		vtkImageData *	data
	)

Get/Set the vtkImageData for the requested molecular orbital.

virtual vtkImageData* vtkProgrammableElectronicData::GetElectronDensity

(

)

[virtual]

Get/Set the vtkImageData for the molecule's electron density.

Implements vtkAbstractElectronicData.

virtual void vtkProgrammableElectronicData::SetElectronDensity

(

vtkImageData *

)

[virtual]

Get/Set the vtkImageData for the molecule's electron density.

virtual void vtkProgrammableElectronicData::SetPadding

(

double

)

[virtual]

Set/Get the padding around the molecule to which the cube extends. This is used to determine the dataset bounds.

virtual double vtkProgrammableElectronicData::GetPadding

(

)

[virtual]

Set/Get the padding around the molecule to which the cube extends. This is used to determine the dataset bounds.

Reimplemented from vtkAbstractElectronicData.

virtual void vtkProgrammableElectronicData::DeepCopy

(

vtkDataObject *

obj

)

[virtual]

Deep copies the data object into this.

Reimplemented from vtkAbstractElectronicData.

---

Member Data Documentation

vtkIdType vtkProgrammableElectronicData::NumberOfElectrons [protected]

Electronic data set property

Definition at line 82 of file vtkProgrammableElectronicData.h.

StdVectorOfImageDataPointers* vtkProgrammableElectronicData::MOs [protected]

Storage for the vtkImageData objects

Definition at line 86 of file vtkProgrammableElectronicData.h.

vtkImageData* vtkProgrammableElectronicData::ElectronDensity [protected]

Storage for the vtkImageData objects

Definition at line 87 of file vtkProgrammableElectronicData.h.

---

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

• dox/Domains/Chemistry/vtkProgrammableElectronicData.h