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Improve speed of quantity stringification #2090

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Merged
merged 2 commits into from
Jul 23, 2025
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Improve speed of quantity stringification #2090

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5a99c22
Skip unit conversion when stripping own units
mattwthompson Jul 22, 2025
a3a6010
Update release history
mattwthompson Jul 23, 2025
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3 changes: 3 additions & 0 deletions docs/releasehistory.md
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Expand Up @@ -13,6 +13,7 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
### Behavior changes

### Bugfixes

- [PR #2052](https://github.com/openforcefield/openff-toolkit/pull/2052): Fixes bug where `Topology.from_pdb` couldn't load NH4+ ([Issue #2051](https://github.com/openforcefield/openff-toolkit/issues/2051))

### Miscellaneous
Expand All @@ -22,7 +23,9 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
- [PR #2078](https://github.com/openforcefield/openff-toolkit/pull/2078): Updates molecule cookbook molecule.from_qcschema()

### New features

- [PR #2066](https://github.com/openforcefield/openff-toolkit/pull/2066): Improves runtime in some situations by making AmberToolsToolkitWrapper perform lazy evaluation of AmberTools version. (@vamironov)
- [PR #2090](https://github.com/openforcefield/openff-toolkit/pull/2090): Improves runtime of force field serialization via faster `Quantity` stringification.


### Improved documentation and warnings
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2 changes: 1 addition & 1 deletion openff/toolkit/utils/utils.py
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Expand Up @@ -163,7 +163,7 @@ def quantity_to_string(input_quantity: Quantity) -> str:
The serialized quantity

"""
unitless_value: float | int | NDArray | list = input_quantity.m_as(input_quantity.units)
unitless_value: float | int | NDArray | list = input_quantity.m
# The string representation of a numpy array doesn't have commas and breaks the
# parser, thus we convert any arrays to list here
if isinstance(unitless_value, np.ndarray):
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