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vtkProgrammableElectronicData Class Reference

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

#include <vtkProgrammableElectronicData.h>

Inherits vtkAbstractElectronicData.

Public Types

typedef vtkAbstractElectronicData Superclass
 

Public Member Functions

virtual int IsA (const char *type)
 
vtkProgrammableElectronicDataNewInstance () 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 vtkObjectBaseNewInstanceInternal () 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

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
static int vtkProgrammableElectronicData::IsTypeOf ( const char *  type)
static
virtual int vtkProgrammableElectronicData::IsA ( const char *  type)
virtual
static vtkProgrammableElectronicData* vtkProgrammableElectronicData::SafeDownCast ( vtkObjectBase o)
static
virtual vtkObjectBase* vtkProgrammableElectronicData::NewInstanceInternal ( ) const
protectedvirtual
vtkProgrammableElectronicData* vtkProgrammableElectronicData::NewInstance ( ) const
void vtkProgrammableElectronicData::PrintSelf ( ostream &  os,
vtkIndent  indent 
)
virtual vtkIdType vtkProgrammableElectronicData::GetNumberOfMOs ( )
virtual

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

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

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.

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.

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.

virtual void vtkProgrammableElectronicData::DeepCopy ( vtkDataObject obj)
virtual

Deep copies the data object into this.

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: