From 1db3e7220ab5e86f890b12ba4bf5ec0980b39226 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Mon, 7 Aug 2023 20:32:44 -0400 Subject: [PATCH 1/2] reset black to 2022 --- pyproject.toml | 2 +- qcelemental/models/results.py | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index b6cc5365..4d509840 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -48,7 +48,7 @@ align = ["networkx", "scipy"] test = ["pytest"] [tool.poetry.group.dev.dependencies] -black = ">=23.1.0" +black = ">=22.1.0,<23.0a0" mypy = "^1.1.1" isort = "5.11.5" flake8 = "<6.0.0" diff --git a/qcelemental/models/results.py b/qcelemental/models/results.py index e6288a42..15c18102 100644 --- a/qcelemental/models/results.py +++ b/qcelemental/models/results.py @@ -567,7 +567,7 @@ class AtomicInput(ProtoModel): r"""The MolSSI Quantum Chemistry Schema""" id: Optional[str] = Field(None, description="The optional ID for the computation.") - schema_name: constr(strip_whitespace=True, regex="^(qc_?schema_input)$") = Field( # type: ignore + schema_name: constr(strip_whitespace=True, regex="^(qc\_?schema_input)$") = Field( # type: ignore qcschema_input_default, description=( f"The QCSchema specification this model conforms to. Explicitly fixed as {qcschema_input_default}." @@ -608,7 +608,7 @@ def __repr_args__(self) -> "ReprArgs": class AtomicResult(AtomicInput): r"""Results from a CMS program execution.""" - schema_name: constr(strip_whitespace=True, regex="^(qc_?schema_output)$") = Field( # type: ignore + schema_name: constr(strip_whitespace=True, regex="^(qc\_?schema_output)$") = Field( # type: ignore qcschema_output_default, description=( f"The QCSchema specification this model conforms to. Explicitly fixed as {qcschema_output_default}." From cdf6c49839735127e7957352329ec45aca76da7c Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Fri, 29 Sep 2023 14:29:37 -0400 Subject: [PATCH 2/2] Update results.py --- qcelemental/models/results.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/qcelemental/models/results.py b/qcelemental/models/results.py index 15c18102..e6288a42 100644 --- a/qcelemental/models/results.py +++ b/qcelemental/models/results.py @@ -567,7 +567,7 @@ class AtomicInput(ProtoModel): r"""The MolSSI Quantum Chemistry Schema""" id: Optional[str] = Field(None, description="The optional ID for the computation.") - schema_name: constr(strip_whitespace=True, regex="^(qc\_?schema_input)$") = Field( # type: ignore + schema_name: constr(strip_whitespace=True, regex="^(qc_?schema_input)$") = Field( # type: ignore qcschema_input_default, description=( f"The QCSchema specification this model conforms to. Explicitly fixed as {qcschema_input_default}." @@ -608,7 +608,7 @@ def __repr_args__(self) -> "ReprArgs": class AtomicResult(AtomicInput): r"""Results from a CMS program execution.""" - schema_name: constr(strip_whitespace=True, regex="^(qc\_?schema_output)$") = Field( # type: ignore + schema_name: constr(strip_whitespace=True, regex="^(qc_?schema_output)$") = Field( # type: ignore qcschema_output_default, description=( f"The QCSchema specification this model conforms to. Explicitly fixed as {qcschema_output_default}."