Table 2.

An overview of the Cinfony API.

Class name	Purpose
Molecule	Wraps a molecule instance of the underlying toolkit and provides access to methods that act on molecules
Atom	Wraps an atom instance of the underlying toolkit
MoleculeData	Provides dictionary-like access to the information contained in the tag fields in SDF and MOL2 files
Outputfile	Handles multimolecule output file formats
Smarts	Wraps the SMARTS functionality of the toolkit in an analogous way to the Python 're' module for regular expression matching
Fingerprint	Simplifies Tanimoto calculation of binary fingerprints
Function name
readfile	Return an iterator over Molecules in a file
readstring	Return a Molecule
Variable name
descs	A list of descriptor IDs
forcefields	A list of forcefield IDs
fps	A list of fingerprint IDs
informatsaa	A list of input format IDs
outformats	A list of output format IDs