eval/structure_utils.py now hosts core sampling-input logic (e.g. SampleworksProcessedStructure, process_structure_to_trajectory_input) used by the scalers, so its eval/ location is misleading.
Probably should move it to src/sampleworks/utils/, and move tests/eval/test_structure_utils.py to tests/utils/test_structure_utils.py? This would also require updating the import lines in other files that use them.
eval/structure_utils.pynow hosts core sampling-input logic (e.g. SampleworksProcessedStructure, process_structure_to_trajectory_input) used by the scalers, so itseval/location is misleading.Probably should move it to
src/sampleworks/utils/, and movetests/eval/test_structure_utils.pytotests/utils/test_structure_utils.py? This would also require updating the import lines in other files that use them.