Simple extractor just for testing purposes, essentially developing a
molecular formula as a molecule feature vector.
Conceptually develops a feature vector with one cell per element of
the periodic table, with values equal to the number of times the
respective element appears for a given input molecule.
Specifically develops a feature dictionary for molecules keyed by the
atomic symbols
("C","N","O","H","Br","Cl",etc.)
with respective count values.
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__init__(self)
Default constructor, modifies attributes to interpret as
*molecule* feature extractor. |
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__call__(self,
obj)
Create feature dictionary from input object. |
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objectDescription(self,
obj)
Input is a molecule object, just return the canonical SMILES
representation |
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getNameID(self,
obj)
Input is a molecule object, return the molecule's Title
property |
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Inherited from BaseFeatureExtractor.BaseFeatureExtractor:
loadArgs,
loadOptions,
main,
outputFeatures
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