Update a test for QCPortal 0.54 (#338)

* Don't use a cache that was modified in 0.54 * Update release history
openforcefield · Apr 9, 2024 · f7cd2a6 · f7cd2a6
1 parent 25ce84e
commit f7cd2a6
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diff --git a/docs/releasehistory.md b/docs/releasehistory.md
@@ -9,6 +9,10 @@ Releases follow the ``major.minor.micro`` scheme recommended by
 
 <!-- ## Since last release -->
 
+## Current development
+
+* [#338] - Updates a test for QCFractal/QCPortal 0.54. [@mattwthompson]
+
 ## 0.3.0 / 27-03-2024
 
 ### New Features
@@ -155,6 +159,7 @@ The first major release of bespokefit intended for public use.
 [#325]: https://github.com/openforcefield/openff-bespokefit/pull/325
 [#330]: https://github.com/openforcefield/openff-bespokefit/pull/330
 [#334]: https://github.com/openforcefield/openff-bespokefit/pull/334
+[#338]: https://github.com/openforcefield/openff-bespokefit/pull/338
 
 
 [@Yoshanuikabundi]: https://github.com/Yoshanuikabundi

diff --git a/openff/bespokefit/_tests/schema/test_targets.py b/openff/bespokefit/_tests/schema/test_targets.py
@@ -145,11 +145,8 @@ def modify_molecule(molecule):
             pass
 
         if isinstance(record, qcportal.torsiondrive.TorsiondriveRecord):
-            final_records = {
-                key: val for key, val in record.minimum_optimizations_cache_.items()
-            }
 
-            for _record in final_records.values():
+            for _record in record.minimum_optimizations.values():
                 pos0 = _record.final_molecule.geometry[0]
                 pos1 = _record.final_molecule.geometry[1]
                 _record.final_molecule.geometry[0] = pos1