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Morgan now in FP_FUNCS so update create_db_file #133

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Morgan now in FP_FUNCS so update create_db_file #133

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3 changes: 2 additions & 1 deletion FPSim2/io/backends/pytables.py
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Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,7 @@
it_mol_supplier,
FP_FUNC_DEFAULTS,
RDKIT_PARSE_FUNCS,
FP_FUNCS
)
import tables as tb
import numpy as np
Expand Down Expand Up @@ -48,7 +49,7 @@ def create_db_file(
is_valid_file = isinstance(mols_source, str) and (
mols_source.endswith((".smi", ".sdf", ".sdf.gz"))
)
if not (is_valid_file or mol_format in RDKIT_PARSE_FUNCS):
if not (is_valid_file or mol_format in FP_FUNCS):
raise ValueError(f"Unsupported mol_format: {mol_format}")

if fp_type not in FP_FUNC_DEFAULTS:
Expand Down
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