pychnosz 1.1.1__cp310-cp310-win_amd64.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 (128) hide show
  1. pychnosz/__init__.py +129 -0
  2. pychnosz/biomolecules/__init__.py +29 -0
  3. pychnosz/biomolecules/ionize_aa.py +197 -0
  4. pychnosz/biomolecules/proteins.py +595 -0
  5. pychnosz/core/__init__.py +46 -0
  6. pychnosz/core/affinity.py +1256 -0
  7. pychnosz/core/animation.py +593 -0
  8. pychnosz/core/balance.py +334 -0
  9. pychnosz/core/basis.py +716 -0
  10. pychnosz/core/diagram.py +3336 -0
  11. pychnosz/core/equilibrate.py +813 -0
  12. pychnosz/core/equilibrium.py +554 -0
  13. pychnosz/core/info.py +821 -0
  14. pychnosz/core/retrieve.py +364 -0
  15. pychnosz/core/speciation.py +580 -0
  16. pychnosz/core/species.py +599 -0
  17. pychnosz/core/subcrt.py +1700 -0
  18. pychnosz/core/thermo.py +593 -0
  19. pychnosz/core/unicurve.py +1226 -0
  20. pychnosz/data/__init__.py +11 -0
  21. pychnosz/data/add_obigt.py +327 -0
  22. pychnosz/data/extdata/Berman/BDat17_2017.csv +2 -0
  23. pychnosz/data/extdata/Berman/Ber88_1988.csv +68 -0
  24. pychnosz/data/extdata/Berman/Ber90_1990.csv +5 -0
  25. pychnosz/data/extdata/Berman/DS10_2010.csv +6 -0
  26. pychnosz/data/extdata/Berman/FDM+14_2014.csv +2 -0
  27. pychnosz/data/extdata/Berman/Got04_2004.csv +5 -0
  28. pychnosz/data/extdata/Berman/JUN92_1992.csv +3 -0
  29. pychnosz/data/extdata/Berman/SHD91_1991.csv +12 -0
  30. pychnosz/data/extdata/Berman/VGT92_1992.csv +2 -0
  31. pychnosz/data/extdata/Berman/VPT01_2001.csv +3 -0
  32. pychnosz/data/extdata/Berman/VPV05_2005.csv +2 -0
  33. pychnosz/data/extdata/Berman/ZS92_1992.csv +11 -0
  34. pychnosz/data/extdata/Berman/sympy.R +99 -0
  35. pychnosz/data/extdata/Berman/testing/BA96.bib +12 -0
  36. pychnosz/data/extdata/Berman/testing/BA96_Berman.csv +21 -0
  37. pychnosz/data/extdata/Berman/testing/BA96_OBIGT.csv +21 -0
  38. pychnosz/data/extdata/Berman/testing/BA96_refs.csv +6 -0
  39. pychnosz/data/extdata/OBIGT/AD.csv +25 -0
  40. pychnosz/data/extdata/OBIGT/Berman_cr.csv +93 -0
  41. pychnosz/data/extdata/OBIGT/DEW.csv +211 -0
  42. pychnosz/data/extdata/OBIGT/H2O_aq.csv +4 -0
  43. pychnosz/data/extdata/OBIGT/SLOP98.csv +411 -0
  44. pychnosz/data/extdata/OBIGT/SUPCRT92.csv +178 -0
  45. pychnosz/data/extdata/OBIGT/inorganic_aq.csv +729 -0
  46. pychnosz/data/extdata/OBIGT/inorganic_cr.csv +273 -0
  47. pychnosz/data/extdata/OBIGT/inorganic_gas.csv +20 -0
  48. pychnosz/data/extdata/OBIGT/organic_aq.csv +1104 -0
  49. pychnosz/data/extdata/OBIGT/organic_cr.csv +481 -0
  50. pychnosz/data/extdata/OBIGT/organic_gas.csv +268 -0
  51. pychnosz/data/extdata/OBIGT/organic_liq.csv +533 -0
  52. pychnosz/data/extdata/OBIGT/testing/GEMSFIT.csv +43 -0
  53. pychnosz/data/extdata/OBIGT/testing/IGEM.csv +17 -0
  54. pychnosz/data/extdata/OBIGT/testing/Sandia.csv +8 -0
  55. pychnosz/data/extdata/OBIGT/testing/SiO2.csv +4 -0
  56. pychnosz/data/extdata/misc/AD03_Fig1a.csv +69 -0
  57. pychnosz/data/extdata/misc/AD03_Fig1b.csv +43 -0
  58. pychnosz/data/extdata/misc/AD03_Fig1c.csv +89 -0
  59. pychnosz/data/extdata/misc/AD03_Fig1d.csv +30 -0
  60. pychnosz/data/extdata/misc/BZA10.csv +5 -0
  61. pychnosz/data/extdata/misc/HW97_Cp.csv +90 -0
  62. pychnosz/data/extdata/misc/HWM96_V.csv +229 -0
  63. pychnosz/data/extdata/misc/LA19_test.csv +7 -0
  64. pychnosz/data/extdata/misc/Mer75_Table4.csv +42 -0
  65. pychnosz/data/extdata/misc/OBIGT_check.csv +423 -0
  66. pychnosz/data/extdata/misc/PM90.csv +7 -0
  67. pychnosz/data/extdata/misc/RH95.csv +23 -0
  68. pychnosz/data/extdata/misc/RH98_Table15.csv +17 -0
  69. pychnosz/data/extdata/misc/SC10_Rainbow.csv +19 -0
  70. pychnosz/data/extdata/misc/SK95.csv +55 -0
  71. pychnosz/data/extdata/misc/SOJSH.csv +61 -0
  72. pychnosz/data/extdata/misc/SS98_Fig5a.csv +81 -0
  73. pychnosz/data/extdata/misc/SS98_Fig5b.csv +84 -0
  74. pychnosz/data/extdata/misc/TKSS14_Fig2.csv +25 -0
  75. pychnosz/data/extdata/misc/bluered.txt +1000 -0
  76. pychnosz/data/extdata/protein/Cas/Cas_aa.csv +177 -0
  77. pychnosz/data/extdata/protein/Cas/Cas_uniprot.csv +186 -0
  78. pychnosz/data/extdata/protein/Cas/download.R +34 -0
  79. pychnosz/data/extdata/protein/Cas/mkaa.R +34 -0
  80. pychnosz/data/extdata/protein/POLG.csv +12 -0
  81. pychnosz/data/extdata/protein/TBD+05.csv +393 -0
  82. pychnosz/data/extdata/protein/TBD+05_aa.csv +393 -0
  83. pychnosz/data/extdata/protein/rubisco.csv +28 -0
  84. pychnosz/data/extdata/protein/rubisco.fasta +239 -0
  85. pychnosz/data/extdata/protein/rubisco_aa.csv +28 -0
  86. pychnosz/data/extdata/src/H2O92D.f.orig +3457 -0
  87. pychnosz/data/extdata/src/README.txt +5 -0
  88. pychnosz/data/extdata/taxonomy/names.dmp +215 -0
  89. pychnosz/data/extdata/taxonomy/nodes.dmp +63 -0
  90. pychnosz/data/extdata/thermo/Bdot_acirc.csv +60 -0
  91. pychnosz/data/extdata/thermo/buffer.csv +40 -0
  92. pychnosz/data/extdata/thermo/element.csv +135 -0
  93. pychnosz/data/extdata/thermo/groups.csv +6 -0
  94. pychnosz/data/extdata/thermo/opt.csv +2 -0
  95. pychnosz/data/extdata/thermo/protein.csv +506 -0
  96. pychnosz/data/extdata/thermo/refs.csv +343 -0
  97. pychnosz/data/extdata/thermo/stoich.csv.xz +0 -0
  98. pychnosz/data/loader.py +431 -0
  99. pychnosz/data/mod_obigt.py +322 -0
  100. pychnosz/data/obigt.py +471 -0
  101. pychnosz/data/worm.py +228 -0
  102. pychnosz/fortran/__init__.py +16 -0
  103. pychnosz/fortran/h2o92.dll +0 -0
  104. pychnosz/fortran/h2o92_interface.py +527 -0
  105. pychnosz/geochemistry/__init__.py +21 -0
  106. pychnosz/geochemistry/minerals.py +514 -0
  107. pychnosz/geochemistry/redox.py +500 -0
  108. pychnosz/models/__init__.py +47 -0
  109. pychnosz/models/archer_wang.py +165 -0
  110. pychnosz/models/berman.py +309 -0
  111. pychnosz/models/cgl.py +381 -0
  112. pychnosz/models/dew.py +997 -0
  113. pychnosz/models/hkf.py +523 -0
  114. pychnosz/models/hkf_helpers.py +222 -0
  115. pychnosz/models/iapws95.py +1113 -0
  116. pychnosz/models/supcrt92_fortran.py +238 -0
  117. pychnosz/models/water.py +480 -0
  118. pychnosz/utils/__init__.py +27 -0
  119. pychnosz/utils/expression.py +1074 -0
  120. pychnosz/utils/formula.py +830 -0
  121. pychnosz/utils/formula_ox.py +227 -0
  122. pychnosz/utils/reset.py +33 -0
  123. pychnosz/utils/units.py +259 -0
  124. pychnosz-1.1.1.dist-info/METADATA +197 -0
  125. pychnosz-1.1.1.dist-info/RECORD +128 -0
  126. pychnosz-1.1.1.dist-info/WHEEL +5 -0
  127. pychnosz-1.1.1.dist-info/licenses/LICENSE.txt +19 -0
  128. pychnosz-1.1.1.dist-info/top_level.txt +1 -0
pychnosz/data/extdata/misc/SS98_Fig5a.csv ADDED
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