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Pseudo-privatize tests #242

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Dec 22, 2023
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2 changes: 1 addition & 1 deletion .github/workflows/CI.yml
Original file line number Diff line number Diff line change
Expand Up @@ -66,7 +66,7 @@ jobs:

- name: Run Tests
run: |
python -m pytest -v --cov=openff --cov-config=setup.cfg --cov-report=xml openff/qcsubmit/tests
python -m pytest -v --cov=openff --cov-config=setup.cfg openff/qcsubmit/_tests/ --cov-report=xml

- name: Codecov
uses: codecov/codecov-action@v3
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6 changes: 5 additions & 1 deletion docs/releasehistory.md
Original file line number Diff line number Diff line change
Expand Up @@ -10,13 +10,17 @@ Releases follow the ``major.minor.micro`` scheme recommended by
<!--## Version / Date DD-MM-YYYY -->
## Current development

### API-breaking changes

* [PR #242:] Make tests private (`openff/qcsubmit/tests` --> `openff/qcsubmit/_tests`) (#242)

### Bugfixes

* [PR #237:] Correctly use `openff.units` in `TorsionDriveResultCollection.to_records()` and the same method of other classes. (#237) [@chapincavender]

### Tests updated

* [PR #252:] Update constrained torsiondrive test to use a smaller molecule to avoid CI runs timing out.
* [PR #252:] Update constrained torsiondrive test to use a smaller molecule to avoid CI runs timing out. (#252)


## 0.4.0 / 11-15-2022
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File renamed without changes.
File renamed without changes.
Original file line number Diff line number Diff line change
Expand Up @@ -8,16 +8,16 @@
from qcportal.optimization import OptimizationDatasetEntry as OptEntry
from qcportal.optimization import OptimizationRecord

from openff.qcsubmit._tests.results import (
mock_basic_result_collection,
mock_optimization_result_collection,
mock_torsion_drive_result_collection,
)
from openff.qcsubmit.results import (
BasicResultCollection,
OptimizationResultCollection,
TorsionDriveResultCollection,
)
from openff.qcsubmit.tests.results import (
mock_basic_result_collection,
mock_optimization_result_collection,
mock_torsion_drive_result_collection,
)


def _smiles_to_molecule(smiles: str) -> Molecule:
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Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,7 @@
from qcelemental.models import DriverEnum
from qcportal.singlepoint import QCSpecification

from openff.qcsubmit._tests.results import mock_optimization_result_collection
from openff.qcsubmit.results import (
BasicResult,
OptimizationResult,
Expand All @@ -30,7 +31,6 @@
SMILESFilter,
UnperceivableStereoFilter,
)
from openff.qcsubmit.tests.results import mock_optimization_result_collection

from . import RecordStatusEnum, SinglepointRecord

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Original file line number Diff line number Diff line change
Expand Up @@ -15,6 +15,7 @@
TorsiondriveSpecification,
)

from openff.qcsubmit._tests import does_not_raise
from openff.qcsubmit.common_structures import QCSpec
from openff.qcsubmit.exceptions import RecordTypeError
from openff.qcsubmit.results import (
Expand All @@ -25,7 +26,6 @@
)
from openff.qcsubmit.results.filters import ResultFilter
from openff.qcsubmit.results.results import TorsionDriveResult, _BaseResultCollection
from openff.qcsubmit.tests import does_not_raise

from . import (
OptimizationRecord,
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Original file line number Diff line number Diff line change
@@ -1,9 +1,9 @@
import pytest
from openff.toolkit.topology import Molecule

from openff.qcsubmit._tests import does_not_raise
from openff.qcsubmit.common_structures import Metadata, MoleculeAttributes, QCSpec
from openff.qcsubmit.exceptions import DatasetInputError, QCSpecificationError
from openff.qcsubmit.tests import does_not_raise


def test_attributes_from_openff_molecule():
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6 changes: 3 additions & 3 deletions pyproject.toml
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
[tool.black]
line-length = 88
target-version = ['py37']
target-version = ['py39']
exclude = '''

(
Expand All @@ -16,7 +16,7 @@ exclude = '''
| build
| dist
)/
| tests # also separately exclude a file named foo.py in
| _tests # also separately exclude a file named foo.py in
# the root of the project
)
'''
'''
2 changes: 1 addition & 1 deletion setup.cfg
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@
# .coveragerc to control coverage.py and pytest-cov
omit =
# Omit the tests
*/*/tests/*
*/*/_tests/*
# Omit generated versioneer
openff/qcsubmit/_version.py

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