pyEQL 1.1.4__tar.gz → 1.1.5__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (128) hide show
  1. {pyeql-1.1.4 → pyeql-1.1.5}/CHANGELOG.md +7 -0
  2. {pyeql-1.1.4/src/pyEQL.egg-info → pyeql-1.1.5}/PKG-INFO +1 -1
  3. {pyeql-1.1.4 → pyeql-1.1.5}/docs/changelog.md +7 -0
  4. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/solution.py +0 -1
  5. {pyeql-1.1.4 → pyeql-1.1.5/src/pyEQL.egg-info}/PKG-INFO +1 -1
  6. {pyeql-1.1.4 → pyeql-1.1.5}/.coveragerc +0 -0
  7. {pyeql-1.1.4 → pyeql-1.1.5}/.gitattributes +0 -0
  8. {pyeql-1.1.4 → pyeql-1.1.5}/.github/dependabot.yml +0 -0
  9. {pyeql-1.1.4 → pyeql-1.1.5}/.github/pull_request_template.md +0 -0
  10. {pyeql-1.1.4 → pyeql-1.1.5}/.github/release.yml +0 -0
  11. {pyeql-1.1.4 → pyeql-1.1.5}/.github/workflows/post-process.yml +0 -0
  12. {pyeql-1.1.4 → pyeql-1.1.5}/.github/workflows/release.yml +0 -0
  13. {pyeql-1.1.4 → pyeql-1.1.5}/.github/workflows/testing.yaml +0 -0
  14. {pyeql-1.1.4 → pyeql-1.1.5}/.github/workflows/upgrade_dependencies.yml +0 -0
  15. {pyeql-1.1.4 → pyeql-1.1.5}/.gitignore +0 -0
  16. {pyeql-1.1.4 → pyeql-1.1.5}/.pre-commit-config.yaml +0 -0
  17. {pyeql-1.1.4 → pyeql-1.1.5}/.readthedocs.yml +0 -0
  18. {pyeql-1.1.4 → pyeql-1.1.5}/.zenodo.json +0 -0
  19. {pyeql-1.1.4 → pyeql-1.1.5}/AUTHORS.md +0 -0
  20. {pyeql-1.1.4 → pyeql-1.1.5}/CITATION.cff +0 -0
  21. {pyeql-1.1.4 → pyeql-1.1.5}/COPYING +0 -0
  22. {pyeql-1.1.4 → pyeql-1.1.5}/LICENSE.txt +0 -0
  23. {pyeql-1.1.4 → pyeql-1.1.5}/MANIFEST.in +0 -0
  24. {pyeql-1.1.4 → pyeql-1.1.5}/README.md +0 -0
  25. {pyeql-1.1.4 → pyeql-1.1.5}/docs/Makefile +0 -0
  26. {pyeql-1.1.4 → pyeql-1.1.5}/docs/_static/.gitignore +0 -0
  27. {pyeql-1.1.4 → pyeql-1.1.5}/docs/amounts.md +0 -0
  28. {pyeql-1.1.4 → pyeql-1.1.5}/docs/arithmetic.md +0 -0
  29. {pyeql-1.1.4 → pyeql-1.1.5}/docs/authors.md +0 -0
  30. {pyeql-1.1.4 → pyeql-1.1.5}/docs/chemistry.md +0 -0
  31. {pyeql-1.1.4 → pyeql-1.1.5}/docs/class_solution.md +0 -0
  32. {pyeql-1.1.4 → pyeql-1.1.5}/docs/conf.py +0 -0
  33. {pyeql-1.1.4 → pyeql-1.1.5}/docs/contributing.md +0 -0
  34. {pyeql-1.1.4 → pyeql-1.1.5}/docs/creating.md +0 -0
  35. {pyeql-1.1.4 → pyeql-1.1.5}/docs/database.md +0 -0
  36. {pyeql-1.1.4 → pyeql-1.1.5}/docs/engines.md +0 -0
  37. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/.ipynb_checkpoints/pyEQL_demo_1-checkpoint.ipynb +0 -0
  38. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/.ipynb_checkpoints/pyeql_demo-checkpoint.ipynb +0 -0
  39. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/.ipynb_checkpoints/pyeql_tutorial_database-checkpoint.ipynb +0 -0
  40. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/.ipynb_checkpoints/pyeql_tutorial_osmotic_pressure-checkpoint.ipynb +0 -0
  41. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/.ipynb_checkpoints/speedup-checkpoint.ipynb +0 -0
  42. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/pyEQL_demo_1.ipynb +0 -0
  43. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/pyeql_demo.ipynb +0 -0
  44. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/pyeql_tutorial_database.ipynb +0 -0
  45. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/pyeql_tutorial_osmotic_pressure.ipynb +0 -0
  46. {pyeql-1.1.4 → pyeql-1.1.5}/docs/examples/speedup.ipynb +0 -0
  47. {pyeql-1.1.4 → pyeql-1.1.5}/docs/index.md +0 -0
  48. {pyeql-1.1.4 → pyeql-1.1.5}/docs/installation.md +0 -0
  49. {pyeql-1.1.4 → pyeql-1.1.5}/docs/internal.md +0 -0
  50. {pyeql-1.1.4 → pyeql-1.1.5}/docs/license.md +0 -0
  51. {pyeql-1.1.4 → pyeql-1.1.5}/docs/mixing.md +0 -0
  52. {pyeql-1.1.4 → pyeql-1.1.5}/docs/quickstart.md +0 -0
  53. {pyeql-1.1.4 → pyeql-1.1.5}/docs/readme.md +0 -0
  54. {pyeql-1.1.4 → pyeql-1.1.5}/docs/requirements.txt +0 -0
  55. {pyeql-1.1.4 → pyeql-1.1.5}/docs/serialization.md +0 -0
  56. {pyeql-1.1.4 → pyeql-1.1.5}/docs/tutorials.md +0 -0
  57. {pyeql-1.1.4 → pyeql-1.1.5}/docs/units.md +0 -0
  58. {pyeql-1.1.4 → pyeql-1.1.5}/pyeql-logo.png +0 -0
  59. {pyeql-1.1.4 → pyeql-1.1.5}/pyeql-logo.svg +0 -0
  60. {pyeql-1.1.4 → pyeql-1.1.5}/pyproject.toml +0 -0
  61. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/macos-latest_py3.10.txt +0 -0
  62. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/macos-latest_py3.10_extras.txt +0 -0
  63. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/macos-latest_py3.11.txt +0 -0
  64. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/macos-latest_py3.11_extras.txt +0 -0
  65. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/macos-latest_py3.12.txt +0 -0
  66. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/macos-latest_py3.12_extras.txt +0 -0
  67. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/macos-latest_py3.9.txt +0 -0
  68. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/macos-latest_py3.9_extras.txt +0 -0
  69. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/ubuntu-latest_py3.10.txt +0 -0
  70. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/ubuntu-latest_py3.10_extras.txt +0 -0
  71. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/ubuntu-latest_py3.11.txt +0 -0
  72. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/ubuntu-latest_py3.11_extras.txt +0 -0
  73. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/ubuntu-latest_py3.12.txt +0 -0
  74. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/ubuntu-latest_py3.12_extras.txt +0 -0
  75. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/ubuntu-latest_py3.9.txt +0 -0
  76. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/ubuntu-latest_py3.9_extras.txt +0 -0
  77. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/windows-latest_py3.10.txt +0 -0
  78. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/windows-latest_py3.10_extras.txt +0 -0
  79. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/windows-latest_py3.11.txt +0 -0
  80. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/windows-latest_py3.11_extras.txt +0 -0
  81. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/windows-latest_py3.12.txt +0 -0
  82. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/windows-latest_py3.12_extras.txt +0 -0
  83. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/windows-latest_py3.9.txt +0 -0
  84. {pyeql-1.1.4 → pyeql-1.1.5}/requirements/windows-latest_py3.9_extras.txt +0 -0
  85. {pyeql-1.1.4 → pyeql-1.1.5}/setup.cfg +0 -0
  86. {pyeql-1.1.4 → pyeql-1.1.5}/setup.py +0 -0
  87. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/__init__.py +0 -0
  88. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/activity_correction.py +0 -0
  89. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/database/geothermal.dat +0 -0
  90. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/database/llnl.dat +0 -0
  91. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/database/phreeqc_license.txt +0 -0
  92. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/database/pyeql_db.json +0 -0
  93. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/engines.py +0 -0
  94. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/equilibrium.py +0 -0
  95. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/functions.py +0 -0
  96. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/presets/Ringers lactate.yaml +0 -0
  97. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/presets/normal saline.yaml +0 -0
  98. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/presets/rainwater.yaml +0 -0
  99. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/presets/seawater.yaml +0 -0
  100. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/presets/urine.yaml +0 -0
  101. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/presets/wastewater.yaml +0 -0
  102. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/salt_ion_match.py +0 -0
  103. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/solute.py +0 -0
  104. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/utils.py +0 -0
  105. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL.egg-info/SOURCES.txt +0 -0
  106. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL.egg-info/dependency_links.txt +0 -0
  107. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL.egg-info/requires.txt +0 -0
  108. {pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL.egg-info/top_level.txt +0 -0
  109. {pyeql-1.1.4 → pyeql-1.1.5}/tests/conftest.py +0 -0
  110. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_activity.py +0 -0
  111. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_bulk_properties.py +0 -0
  112. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_debye_length.py +0 -0
  113. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_density.py +0 -0
  114. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_dielectric.py +0 -0
  115. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_effective_pitzer.py +0 -0
  116. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_equilibrium.py +0 -0
  117. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_functions.py +0 -0
  118. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_logging.py +0 -0
  119. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_mixed_electrolyte_activity.py +0 -0
  120. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_osmotic_coeff.py +0 -0
  121. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_phreeqc.py +0 -0
  122. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_salt_matching.py +0 -0
  123. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_solute.py +0 -0
  124. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_solute_properties.py +0 -0
  125. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_solution.py +0 -0
  126. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_utils.py +0 -0
  127. {pyeql-1.1.4 → pyeql-1.1.5}/tests/test_volume_concentration.py +0 -0
  128. {pyeql-1.1.4 → pyeql-1.1.5}/tox.ini +0 -0
{pyeql-1.1.4 → pyeql-1.1.5}/CHANGELOG.md RENAMED
@@ -5,6 +5,13 @@ All notable changes to this project will be documented in this file.
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  The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
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  and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
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+ ## [1.1.5] - 2024-07-28
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+ ### Fixed
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+ - `Solution`: Hotfix to remove a stray `assert` statement in `_adjust_charge_balance`
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+ that would sometimes cause errors in`pH` charge balancing.
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  ## [1.1.4] - 2024-07-28
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{pyeql-1.1.4/src/pyEQL.egg-info → pyeql-1.1.5}/PKG-INFO RENAMED
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  Metadata-Version: 2.1
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  Name: pyEQL
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- Version: 1.1.4
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  Summary: A python interface for solution chemistry
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  Author-email: Ryan Kingsbury <kingsbury@princeton.edu>
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  Project-URL: Docs, https://pyeql.readthedocs.io/
{pyeql-1.1.4 → pyeql-1.1.5}/docs/changelog.md RENAMED
@@ -5,6 +5,13 @@ All notable changes to this project will be documented in this file.
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  The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
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  and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
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+ ## [1.1.5] - 2024-07-28
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+ ### Fixed
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+ - `Solution`: Hotfix to remove a stray `assert` statement in `_adjust_charge_balance`
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+ that would sometimes cause errors in`pH` charge balancing.
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  ## [1.1.4] - 2024-07-28
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{pyeql-1.1.4 → pyeql-1.1.5}/src/pyEQL/solution.py RENAMED
@@ -2316,7 +2316,6 @@ class Solution(MSONable):
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  )
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  self.set_amount("OH-", f"{K_W/new_hplus} mol/L")
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- assert np.isclose(self.charge_balance, 0, atol=atol), f"{self.charge_balance}"
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  return
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{pyeql-1.1.4 → pyeql-1.1.5/src/pyEQL.egg-info}/PKG-INFO RENAMED
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  Metadata-Version: 2.1
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  Name: pyEQL
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- Version: 1.1.4
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  Summary: A python interface for solution chemistry
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  Author-email: Ryan Kingsbury <kingsbury@princeton.edu>
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  Project-URL: Docs, https://pyeql.readthedocs.io/
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