Chemical Data Processing Library Python API - Version 1.1.1
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A datastructure allowing a hierarchical view on biological macromolecules. More...
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) | |
A datastructure allowing a hierarchical view on biological macromolecules.
None CDPL.Biomol.HierarchyView.__init__ | ( | Chem.MolecularGraph | molgraph | ) |
Constructs a HierarchyView
instance for the molecular graph molgraph.
molgraph | The molecular graph for which to build the hierarchy view. |
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()
.
None CDPL.Biomol.HierarchyView.build | ( | Chem.MolecularGraph | molgraph | ) |
Build the hierarchy view for the molecular graph molgraph.
molgraph | The molecular graph for which to build the hierarchy view. |
ResidueList CDPL.Biomol.HierarchyView.getResidues | ( | ) |
int CDPL.Biomol.HierarchyView.getNumModels | ( | ) |
HierarchyViewModel CDPL.Biomol.HierarchyView.getModel | ( | int | idx | ) |
idx |
bool CDPL.Biomol.HierarchyView.hasModelWithNumber | ( | int | num | ) |
num |
HierarchyViewModel CDPL.Biomol.HierarchyView.getModelByNumber | ( | int | num | ) |
num |
int CDPL.Biomol.HierarchyView.__len__ | ( | ) |
HierarchyViewModel CDPL.Biomol.HierarchyView.__getitem__ | ( | int | idx | ) |
idx |