From 3b56fccb32f23ce913cae4f3aed028fe95a98929 Mon Sep 17 00:00:00 2001 From: Matt Thompson Date: Wed, 15 Jun 2022 20:17:25 -0500 Subject: [PATCH] Fix #41 (#42) --- devtools/conda-envs/test_env.yaml | 2 +- nagl/utilities/toolkits.py | 10 +++++----- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index 98b4bc7..0a89d89 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -10,7 +10,7 @@ dependencies: - pip ### Core dependencies. - - openff-utilities + - openff-utilities >=0.1.5 - pydantic - click diff --git a/nagl/utilities/toolkits.py b/nagl/utilities/toolkits.py index 8dc57b9..04479f7 100644 --- a/nagl/utilities/toolkits.py +++ b/nagl/utilities/toolkits.py @@ -6,7 +6,7 @@ from typing import TYPE_CHECKING, Generator, List, Literal, overload from openff.utilities import requires_package -from openff.utilities.utilities import MissingOptionalDependency +from openff.utilities.exceptions import MissingOptionalDependencyError from nagl import data @@ -102,7 +102,7 @@ def stream_from_file(file_path: str, as_smiles: bool = False): try: for molecule in _oe_stream_from_file(file_path, as_smiles): yield molecule - except MissingOptionalDependency: + except MissingOptionalDependencyError: for molecule in _rdkit_stream_from_file(file_path, as_smiles): yield molecule @@ -148,7 +148,7 @@ def stream_to_file(file_path: str): try: with _oe_stream_to_file(file_path) as writer: yield writer - except MissingOptionalDependency: + except MissingOptionalDependencyError: with _rdkit_stream_to_file(file_path) as writer: yield writer @@ -187,7 +187,7 @@ def capture_toolkit_warnings(): # pragma: no cover try: with _oe_capture_warnings(): yield - except MissingOptionalDependency: + except MissingOptionalDependencyError: yield logging.getLogger("openff.toolkit").setLevel(openff_logger_level) @@ -220,7 +220,7 @@ def smiles_to_inchi_key(smiles: str) -> str: try: # pragma: no cover return _oe_smiles_to_inchi_key(smiles) - except MissingOptionalDependency: + except MissingOptionalDependencyError: return _rdkit_smiles_to_inchi_key(smiles)