CDPL.Biomol.HierarchyView Class Reference

A data structure allowing a hierarchical view on biological macromolecules. More...

Inheritance diagram for CDPL.Biomol.HierarchyView:

Public Member Functions
None	__init__ ()
	Constructs an empty HierarchyView instance.
None	__init__ (Chem.MolecularGraph molgraph)
	Constructs a HierarchyView instance for the molecular graph molgraph. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	build (Chem.MolecularGraph molgraph)
	Build the hierarchy view for the molecular graph molgraph. More...
ResidueList	getResidues ()
int	getNumModels ()
HierarchyViewModel	getModel (int idx)
bool	hasModelWithNumber (int num)
HierarchyViewModel	getModelByNumber (int num)
int	__len__ ()
HierarchyViewModel	__getitem__ (int idx)

Properties
	objectID = property(getObjectID)
	numModels = property(getNumModels)
	residues = property(getResidues)

Detailed Description

A data structure allowing a hierarchical view on biological macromolecules.

Constructor & Destructor Documentation

__init__()

None CDPL.Biomol.HierarchyView.__init__

(

Chem.MolecularGraph

molgraph

)

Constructs a HierarchyView instance for the molecular graph molgraph.

Parameters

molgraph

The molecular graph for which to build the hierarchy view.

Member Function Documentation

getObjectID()

int CDPL.Biomol.HierarchyView.getObjectID

(

)

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python HierarchyView instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two HierarchyView instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns

The numeric ID of the internally referenced C++ class instance.

build()

None CDPL.Biomol.HierarchyView.build

(

Chem.MolecularGraph

molgraph

)

Build the hierarchy view for the molecular graph molgraph.

Parameters

molgraph

The molecular graph for which to build the hierarchy view.

getResidues()

ResidueList CDPL.Biomol.HierarchyView.getResidues

(

)

Returns

getNumModels()

int CDPL.Biomol.HierarchyView.getNumModels

(

)

Returns

getModel()

HierarchyViewModel CDPL.Biomol.HierarchyView.getModel

(

int

idx

)

Parameters

idx

Returns

hasModelWithNumber()

bool CDPL.Biomol.HierarchyView.hasModelWithNumber

(

int

num

)

Parameters

num

Returns

getModelByNumber()

HierarchyViewModel CDPL.Biomol.HierarchyView.getModelByNumber

(

int

num

)

Parameters

num

Returns

__len__()

int CDPL.Biomol.HierarchyView.__len__

(

)

Returns

__getitem__()

HierarchyViewModel CDPL.Biomol.HierarchyView.__getitem__

(

int

idx

)

Parameters

idx

Returns