Use IAPWS97 for speed; cache instance via utility function

KingsburyLab / pyEQL

A Python library for solution chemistry

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Use IAPWS97 for speed; cache instance via utility function #80

Closed rkingsbury closed 10 months ago

rkingsbury commented 10 months ago

Summary

Use IAPWS97 water model instead of IAPWS95 when possible, because the former instantiates much more quickly. Also create a utility function create_water_substance with caching to speed up access to these instances.

codecov[bot] commented 10 months ago

Codecov Report

Attention: 2 lines in your changes are missing coverage. Please review.

Files	Coverage Δ
src/pyEQL/solution.py	`83.43% <100.00%> (-0.02%)`	:arrow_down:
src/pyEQL/utils.py	`100.00% <100.00%> (ø)`
src/pyEQL/activity_correction.py	`86.02% <93.33%> (+0.46%)`	:arrow_up:

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