Class FingerprintAnnotator

BaseAnnotator.BaseAnnotator --+    
                              |    
  BaseAnnotator.SingleAnnotator --+
                                  |
                                 FingerprintAnnotator

Calculate the fingerprint string for a molecule. Instantiate with the appropriate construction options. Must specify the column name to match to since this would differ depending on the construction options.

>>> from openeye.oechem import OEGraphMol, OEParseSmiles
>>> from CHEM.Common.Util import generateFingerprint
>>> mol = OEGraphMol();
>>> OEParseSmiles(mol,"c1ccccc1O");
1
>>> annotator = FingerprintAnnotator();
>>> print annotator(mol);
1024.-------1-3-------3------7------1---1--------0-----------f---------------------------------------------------0-----------------------7-----------7-------------f--3---------
>>> annotator = FingerprintAnnotator(fpSize=512);
>>> print annotator(mol);
512.-------1-3-------3----f-7------1---1--------0--1--------f--1-------------3--0---------

>>> annotator = FingerprintAnnotator();
>>> print annotator.columnName();
fingerprint_1

>>> annotator = FingerprintAnnotator("anotherColumn");
>>> print annotator.columnName();
anotherColumn