chemfp.openbabel\_toolkit module ======================================== .. automodule:: chemfp.openbabel_toolkit :members: :undoc-members: :show-inheritance: .. attribute:: name The string "openbabel". .. attribute:: software The string used in output file metadata to describe this version of Open Babel. For example, "OpenBabel/3.1.0". .. Auto-generated using from utils using: python fptype_docs_codegen.py openbabel --indent 4 .. attribute:: ecfp0 The available version of the 'OpenBabel-ECFP0' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelECFP0FingerprintType_v1` with the full type:: OpenBabel-ECFP0/1 nBits=4096 .. attribute:: ecfp2 The available version of the 'OpenBabel-ECFP2' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelECFP2FingerprintType_v1` with the full type:: OpenBabel-ECFP2/1 nBits=4096 .. attribute:: ecfp4 The available version of the 'OpenBabel-ECFP4' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelECFP4FingerprintType_v1` with the full type:: OpenBabel-ECFP4/1 nBits=4096 .. attribute:: ecfp6 The available version of the 'OpenBabel-ECFP6' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelECFP6FingerprintType_v1` with the full type:: OpenBabel-ECFP6/1 nBits=4096 .. attribute:: ecfp8 The available version of the 'OpenBabel-ECFP8' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelECFP8FingerprintType_v1` with the full type:: OpenBabel-ECFP8/1 nBits=4096 .. attribute:: ecfp10 The available version of the 'OpenBabel-ECFP10' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelECFP10FingerprintType_v1` with the full type:: OpenBabel-ECFP10/1 nBits=4096 .. attribute:: fp2 The available version of the 'OpenBabel-FP2' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelFP2FingerprintType_v1` with the full type:: OpenBabel-FP2/1 .. attribute:: fp3 The available version of the 'OpenBabel-FP3' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelFP3FingerprintType_v1` with the full type:: OpenBabel-FP3/1 .. attribute:: fp4 The available version of the 'OpenBabel-FP4' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelFP4FingerprintType_v1` with the full type:: OpenBabel-FP4/1 .. attribute:: maccs The available version of the 'OpenBabel-MACCS' fingerprint type, for example, an instance of :class:`chemfp.openbabel_types.OpenBabelMACCSFingerprintType_v2` with the full type:: OpenBabel-MACCS/2