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WIP to have PyEQLEOS support all methods currently supported by the PhreeqcEOS engine.

@vineetbansal vineetbansal changed the title WIP - speciation calculations in new wrappe WIP - speciation calculations in new wrapper Dec 17, 2025
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codecov bot commented Dec 17, 2025

Codecov Report

❌ Patch coverage is 90.80460% with 8 lines in your changes missing coverage. Please review.
✅ Project coverage is 85.68%. Comparing base (892a676) to head (8391a32).
⚠️ Report is 7 commits behind head on main.

Files with missing lines Patch % Lines
src/pyEQL/engines.py 90.58% 3 Missing and 5 partials ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #306      +/-   ##
==========================================
- Coverage   85.69%   85.68%   -0.01%     
==========================================
  Files          10       10              
  Lines        1608     1607       -1     
  Branches      285      285              
==========================================
- Hits         1378     1377       -1     
  Misses        194      194              
  Partials       36       36              

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@vineetbansal vineetbansal changed the title WIP - speciation calculations in new wrapper Speciation calculations in new wrapper Jan 13, 2026
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@rkingsbury - if the tests pass, then this is ready to merge from my end. It shouldn't affect anything on user's side of things since the default engine hasn't been changed, and all imports of pyEQL_phreeqc are done inside PyEQLEOS methods.

The version of the wrapper package pyEQL-phreeqc is currently 3.8.6.17100a1.

This should give us a chance to test the release workflow.

rkingsbury
rkingsbury previously approved these changes Jan 14, 2026
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Thanks Vineet! I'm ready to merge pending these small edits.

…ass; DeprecationWarning on any use of the native engine
@rkingsbury rkingsbury merged commit cbe5b11 into main Jan 15, 2026
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3 participants