Package CHEM :: Package Annotation :: Module ChemicalAnnotators :: Class HBondAcceptorAnnotator

Class HBondAcceptorAnnotator

BaseAnnotator.BaseAnnotator --+    
                              |    
  BaseAnnotator.SingleAnnotator --+
                                  |
                                 HBondAcceptorAnnotator

Calculate the number of Lipinski H-bond acceptors: Just the sum of Oxygens and Nitrogens.

>>> annotator = HBondAcceptorAnnotator();
>>> print callBySmiles( annotator, "c1ccccc1O")[0];
1
>>> print callBySmiles( annotator, "OCN")[0];
2
>>> print callBySmiles( annotator, "COCN(C)C")[0];
2
>>> print callBySmiles( annotator, "C1OCNCO1")[0];
3

Instance Methods

[hide private]

__init__(self)
Always set specificCols to None, doesn't make sense to filter a single annotator that can only produce 1 value.

allColumns(self)
Return an ordered sequence of all the column names that this multiple annotator can generate values for.

allValues(self, input)
Return an ordered sequence of all the values this multiple annotator can calculate off of the input.

Inherited from BaseAnnotator.SingleAnnotator: __call__, columnName

Inherited from BaseAnnotator.BaseAnnotator: annotateDict, iteritems, iterkeys, itervalues, keys, specifyColumns, values

Class Variables

[hide private]

Inherited from BaseAnnotator.BaseAnnotator: specificCols

Method Details

[hide private]

init(self)
(Constructor)

Always set specificCols to None, doesn't make sense to filter a single annotator that can only produce 1 value.

Overrides: BaseAnnotator.SingleAnnotator.__init__: (inherited documentation)

allColumns(self)

Return an ordered sequence of all the column names that this multiple annotator can generate values for.

To facilitate ease of filtering with case-insensitivity, all of the values returned by this method should be lowercase.

Overrides: BaseAnnotator.BaseAnnotator.allColumns: (inherited documentation)

allValues(self, input)

Return an ordered sequence of all the values this multiple annotator can calculate off of the input. The order must correspond to the column list returned by allColumns so the caller can know which element is which.

Overrides: BaseAnnotator.BaseAnnotator.allValues: (inherited documentation)

Class HBondAcceptorAnnotator

__init__(self) (Constructor)

allColumns(self)

allValues(self, input)

init(self)
(Constructor)