e3fp.fingerprint.util module

Utility methods and class for fingerprinting-related functions.

Author: Seth Axen E-mail: seth.axen@gmail.com

exception E3FPBitsValueError[source]

Bases: E3FPError, ValueError

Bits value is invalid.

exception E3FPCountsError[source]

Bases: E3FPError, ValueError

Index in counts is invalid.

exception E3FPInvalidFingerprintError[source]

Bases: E3FPError, TypeError

Fingerprint is incorrectly formatted.

exception E3FPMolError[source]

Bases: E3FPError, TypeError

Mol is of incorrect type.

exception E3FPOptionError[source]

Bases: E3FPError, ValueError

Option provided is invalid.