Fix openforcefield#382

lilyminium · Oct 5, 2021 · e0e86b3 · e0e86b3
1 parent b36c1a8
commit e0e86b3
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diff --git a/docs/releasehistory.rst b/docs/releasehistory.rst
@@ -16,6 +16,7 @@ Bugfixes
 
 * PR `#375 <https://github.com/openforcefield/openff-evaluator/pull/375>`_: Fix #374 - import from collections.abc
 * PR `#387 <https://github.com/openforcefield/openff-evaluator/pull/387>`_: Fix #380 - Recursion error in local file storage
+* PR `#388 <https://github.com/openforcefield/openff-evaluator/pull/388>`_: Fix #382 - Default keyword arguments result in error
 
 New Features
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diff --git a/openff/evaluator/tests/test_workflow/test_workflow.py b/openff/evaluator/tests/test_workflow/test_workflow.py
@@ -5,6 +5,7 @@
 import os
 import tempfile
 
+import numpy
 import pytest
 from openff.toolkit.typing.engines.smirnoff import ForceField
 
@@ -321,8 +322,13 @@ def test_find_relevant_gradient_keys(tmpdir):
 def test_generate_default_metadata_defaults():
     dummy_property = create_dummy_property(Density)
     dummy_forcefield = "smirnoff99Frosst-1.1.0.offxml"
-    data = Workflow.generate_default_metadata(dummy_property,
-                                                dummy_forcefield)
+
+    data = Workflow.generate_default_metadata(dummy_property, dummy_forcefield)
+
     assert data["parameter_gradient_keys"] == []
-    assert data["target_uncertainty"] == math.inf
-    assert data["per_component_uncertainty"] == math.inf
+    assert numpy.isclose(
+        data["target_uncertainty"], math.inf * unit.gram / unit.milliliter
+    )
+    assert numpy.isclose(
+        data["per_component_uncertainty"], math.inf * unit.gram / unit.milliliter
+    )