from __future__ import absolute_import
raise NotImplementedError("This module has not been updated to the current chemfp API")
# WARNING! This is a first attempt at Indigo support. There are known problems
import warnings
warnings.warn("Indigo support is incomplete, experimental, and not to be trusted!")
from . import io
from . import types
from indigo import Indigo
_indigo = Indigo()
SOFTWARE = "Indigo/" + _indigo.version()
# There is no way to get the sizes from the SDK API. While it is
# possible to change the fingerprint sizes, I decided to not support
# that for now since it appears that things will change.
# All fingerprints are currently stored in a single mega-fingerprint
# object, broken down into parts:
# 3 bytes for "extra" bits
# 25*8 bytes for "ordinary" part
# 8*8 bytes for "similarity" part
# 10*8 bytes for "tautomer" part
# 15*8 bytes for "resonance" part
_ORD = 3
_SIM = 3+(25)*8
_TAU = 3+(25+8)*8
_RES = 3+(25+8+10)*8
raise NotImplementedError(
"This module has not been updated to the current chemfp API")
# WARNING! This is a first attempt at Indigo support. There are known problems
import warnings
warnings.warn(
"Indigo support is incomplete, experimental, and not to be trusted!")
from . import io
from . import types
from indigo import Indigo
_indigo = Indigo()
SOFTWARE = "Indigo/" + _indigo.version()
# There is no way to get the sizes from the SDK API. While it is
# possible to change the fingerprint sizes, I decided to not support
# that for now since it appears that things will change.
# All fingerprints are currently stored in a single mega-fingerprint
# object, broken down into parts:
# 3 bytes for "extra" bits
# 25*8 bytes for "ordinary" part
# 8*8 bytes for "similarity" part
# 10*8 bytes for "tautomer" part
# 15*8 bytes for "resonance" part
_ORD = 3
_SIM = 3 + (25) * 8
_TAU = 3 + (25 + 8) * 8
