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Minor performance improvements #98

Merged
merged 1 commit into from
Jan 14, 2025
Merged

Minor performance improvements #98

merged 1 commit into from
Jan 14, 2025

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mattwthompson
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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 88.35%. Comparing base (6eef13f) to head (a831215).

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@mattwthompson mattwthompson marked this pull request as ready for review November 13, 2024 22:50
@j-wags j-wags self-assigned this Jan 13, 2025
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Awesome, I bet this helps a lot with deserialization (especially with big systems and files like the ff14SB port)

Comment on lines +79 to +81
- name: Check OpenMM is lazy-imported
if: ${{ matrix.openmm == 'true' }}
run: python -c "import sys; from openff.units import unit, Quantity; assert 'openmm' not in sys.modules"
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😎

@@ -76,7 +76,7 @@ class UnitRegistry(pint.UnitRegistry):
_measurement_class = Measurement


DEFAULT_UNIT_REGISTRY = UnitRegistry(get_defaults_path())
DEFAULT_UNIT_REGISTRY = UnitRegistry(get_defaults_path(), cache_folder=":auto:")
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(not blocking) Fascinating, and good find. Looks like this landed in the Pint 0.19 line, around 2022.

@mattwthompson
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Thanks @j-wags!

@mattwthompson mattwthompson merged commit 383d0c7 into main Jan 14, 2025
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@mattwthompson mattwthompson added this to the 0.3.0 milestone Jan 14, 2025
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3 participants