CDPL.Biomol.HierarchyView Class Reference

Data structure providing 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 biological macromolecule represented by molgraph. More...
ResidueList	getResidues ()
	Returns the flat list of all residues across all models of the biological macromolecule. More...
int	getNumModels ()
	Returns the number of stored models. More...
HierarchyViewModel	getModel (int idx)
	Returns the model at index idx. More...
bool	hasModelWithNumber (int num)
	Tells whether a model with number num exists. More...
HierarchyViewModel	getModelByNumber (int num)
	Returns the model identified by model number num. More...
int	__len__ ()
HierarchyViewModel	__getitem__ (int idx)

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

Detailed Description

Data structure providing 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 biological macromolecule represented by molgraph.

Parameters

molgraph

The molecular graph of the biological macromolecule for which to build the hierarchy view.

getResidues()

ResidueList CDPL.Biomol.HierarchyView.getResidues

(

)

Returns the flat list of all residues across all models of the biological macromolecule.

Returns

A reference to the residue list.

getNumModels()

int CDPL.Biomol.HierarchyView.getNumModels

(

)

Returns the number of stored models.

Returns

The number of models.

getModel()

HierarchyViewModel CDPL.Biomol.HierarchyView.getModel

(

int

idx

)

Returns the model at index idx.

Parameters

idx	The zero-based model index.

Returns

A reference to the model.

Exceptions

Base.IndexError

if the number of models is zero or idx is not in the range [0, getNumModels() - 1].

hasModelWithNumber()

bool CDPL.Biomol.HierarchyView.hasModelWithNumber

(

int

num

)

Tells whether a model with number num exists.

Parameters

num	The model number.

Returns

True if such a model exists, and False otherwise.

getModelByNumber()

HierarchyViewModel CDPL.Biomol.HierarchyView.getModelByNumber

(

int

num

)

Returns the model identified by model number num.

Parameters

num	The model number.

Returns

A reference to the model.

Exceptions

Base.ItemNotFound

if no model with the requested number exists.

__len__()

int CDPL.Biomol.HierarchyView.__len__

(

)

Returns

__getitem__()

HierarchyViewModel CDPL.Biomol.HierarchyView.__getitem__

(

int

idx

)

Parameters

idx

Returns