pyEQL 0.5.2__py3-none-any.whl → 1.1.0__py3-none-any.whl

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 (62) hide show
  1. pyEQL/__init__.py +50 -43
  2. pyEQL/activity_correction.py +481 -707
  3. pyEQL/database/geothermal.dat +5693 -0
  4. pyEQL/database/llnl.dat +19305 -0
  5. pyEQL/database/phreeqc_license.txt +54 -0
  6. pyEQL/database/pyeql_db.json +35902 -0
  7. pyEQL/engines.py +793 -0
  8. pyEQL/equilibrium.py +148 -228
  9. pyEQL/functions.py +121 -416
  10. pyEQL/pint_custom_units.txt +2 -2
  11. pyEQL/presets/Ringers lactate.yaml +20 -0
  12. pyEQL/presets/normal saline.yaml +17 -0
  13. pyEQL/presets/rainwater.yaml +17 -0
  14. pyEQL/presets/seawater.yaml +29 -0
  15. pyEQL/presets/urine.yaml +26 -0
  16. pyEQL/presets/wastewater.yaml +21 -0
  17. pyEQL/salt_ion_match.py +53 -284
  18. pyEQL/solute.py +126 -191
  19. pyEQL/solution.py +2163 -2090
  20. pyEQL/utils.py +165 -0
  21. pyEQL-1.1.0.dist-info/AUTHORS.md +13 -0
  22. {pyEQL-0.5.2.dist-info → pyEQL-1.1.0.dist-info}/COPYING +1 -1
  23. pyEQL-0.5.2.dist-info/LICENSE → pyEQL-1.1.0.dist-info/LICENSE.txt +3 -7
  24. pyEQL-1.1.0.dist-info/METADATA +129 -0
  25. pyEQL-1.1.0.dist-info/RECORD +27 -0
  26. {pyEQL-0.5.2.dist-info → pyEQL-1.1.0.dist-info}/WHEEL +2 -1
  27. pyEQL/chemical_formula.py +0 -1006
  28. pyEQL/database/Erying_viscosity.tsv +0 -18
  29. pyEQL/database/Jones_Dole_B.tsv +0 -32
  30. pyEQL/database/Jones_Dole_B_inorganic_Jenkins.tsv +0 -75
  31. pyEQL/database/LICENSE +0 -4
  32. pyEQL/database/dielectric_parameter.tsv +0 -30
  33. pyEQL/database/diffusion_coefficient.tsv +0 -116
  34. pyEQL/database/hydrated_radius.tsv +0 -35
  35. pyEQL/database/ionic_radius.tsv +0 -35
  36. pyEQL/database/partial_molar_volume.tsv +0 -22
  37. pyEQL/database/pitzer_activity.tsv +0 -169
  38. pyEQL/database/pitzer_volume.tsv +0 -132
  39. pyEQL/database/template.tsv +0 -14
  40. pyEQL/database.py +0 -300
  41. pyEQL/elements.py +0 -4552
  42. pyEQL/logging_system.py +0 -53
  43. pyEQL/parameter.py +0 -435
  44. pyEQL/tests/__init__.py +0 -32
  45. pyEQL/tests/test_activity.py +0 -578
  46. pyEQL/tests/test_bulk_properties.py +0 -86
  47. pyEQL/tests/test_chemical_formula.py +0 -279
  48. pyEQL/tests/test_debye_length.py +0 -79
  49. pyEQL/tests/test_density.py +0 -106
  50. pyEQL/tests/test_dielectric.py +0 -153
  51. pyEQL/tests/test_effective_pitzer.py +0 -276
  52. pyEQL/tests/test_mixed_electrolyte_activity.py +0 -154
  53. pyEQL/tests/test_osmotic_coeff.py +0 -99
  54. pyEQL/tests/test_pyeql_volume_concentration.py +0 -428
  55. pyEQL/tests/test_salt_matching.py +0 -337
  56. pyEQL/tests/test_solute_properties.py +0 -251
  57. pyEQL/water_properties.py +0 -352
  58. pyEQL-0.5.2.dist-info/AUTHORS +0 -7
  59. pyEQL-0.5.2.dist-info/METADATA +0 -72
  60. pyEQL-0.5.2.dist-info/RECORD +0 -47
  61. pyEQL-0.5.2.dist-info/entry_points.txt +0 -3
  62. {pyEQL-0.5.2.dist-info → pyEQL-1.1.0.dist-info}/top_level.txt +0 -0
pyEQL/database/phreeqc_license.txt ADDED
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+ THE LICENSE AGREEMENT BELOW APPLIES TO THE PHREEQC DATABASE FILES CONTAINED IN THIS
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+ PACKAGE. TO OBTAIN A COMPLETE, ORIGINAL COPY OF PHREEQC, PLEASE VISIT
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+ https://www.usgs.gov/software/phreeqc-version-3
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+
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+ User Rights Notice
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+
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+ This software and related material (data and (or) documentation),
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+ contained in or furnished in connection with PHREEQC, are made available
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+ by the U.S. Geological Survey (USGS) to be used in the public interest
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+ and in the advancement of science. You may, without any fee or cost,
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+ use, copy, modify, or distribute this software, and any derivative works
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+ thereof, and its supporting documentation, subject to the following
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+ restrictions and understandings.
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+
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+ If you distribute copies or modifications of the software and related
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+ material, make sure the recipients receive a copy of this notice and
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+ receive or can get a copy of the original distribution. If the software
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+ and (or) related material are modified and distributed, it must be
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+ made clear that the recipients do not have the original and they must
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+ be informed of the extent of the modifications. For example, modified
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+ files must include a prominent notice stating the modifications made, the
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+ author of the modifications, and the date the modifications were made.
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+ This restriction is necessary to guard against problems introduced in the
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+ software by others, reflecting negatively on the reputation of the USGS.
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+ The software is public property and you therefore have the right to
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+ the source code, if desired.
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+ You may charge fees for distribution, warranties, and services provided
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+ in connection with the software or derivative works thereof. The name
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+ USGS can be used in any advertising or publicity to endorse or promote
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+ The user agrees to appropriately acknowledge the authors and the USGS
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+ in publications that result from the use of this software or in products
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+ Although this software program has been used by the U.S. Geological
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+ Survey (USGS), no warranty, expressed or implied, is made by the USGS
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