pyEQL 1.4.0rc9__cp311-cp311-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 (519) hide show
  1. pyEQL/__init__.py +50 -0
  2. pyEQL/_phreeqc.cp311-win_amd64.pyd +0 -0
  3. pyEQL/activity_correction.py +879 -0
  4. pyEQL/database/geothermal.dat +5693 -0
  5. pyEQL/database/llnl.dat +19305 -0
  6. pyEQL/database/phreeqc_license.txt +54 -0
  7. pyEQL/database/pyeql_db.json +35607 -0
  8. pyEQL/engines.py +1153 -0
  9. pyEQL/equilibrium.py +227 -0
  10. pyEQL/functions.py +281 -0
  11. pyEQL/phreeqc/__init__.py +5 -0
  12. pyEQL/phreeqc/bindings.cpp +84 -0
  13. pyEQL/phreeqc/core.py +239 -0
  14. pyEQL/phreeqc/database/Amm.dat +1968 -0
  15. pyEQL/phreeqc/database/CMakeLists.txt +32 -0
  16. pyEQL/phreeqc/database/ColdChem.dat +267 -0
  17. pyEQL/phreeqc/database/Concrete_PHR.dat +158 -0
  18. pyEQL/phreeqc/database/Concrete_PZ.dat +195 -0
  19. pyEQL/phreeqc/database/Kinec.v2.dat +12039 -0
  20. pyEQL/phreeqc/database/Kinec_v3.dat +12159 -0
  21. pyEQL/phreeqc/database/Makefile.am +28 -0
  22. pyEQL/phreeqc/database/Makefile.in +530 -0
  23. pyEQL/phreeqc/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat +12965 -0
  24. pyEQL/phreeqc/database/Tipping_Hurley.dat +4137 -0
  25. pyEQL/phreeqc/database/__init__.py +0 -0
  26. pyEQL/phreeqc/database/core10.dat +6824 -0
  27. pyEQL/phreeqc/database/frezchem.dat +634 -0
  28. pyEQL/phreeqc/database/iso.dat +7235 -0
  29. pyEQL/phreeqc/database/llnl.dat +19310 -0
  30. pyEQL/phreeqc/database/minteq.dat +5654 -0
  31. pyEQL/phreeqc/database/minteq.v4.dat +13212 -0
  32. pyEQL/phreeqc/database/phreeqc.dat +1972 -0
  33. pyEQL/phreeqc/database/phreeqc_rates.dat +3158 -0
  34. pyEQL/phreeqc/database/pitzer.dat +1044 -0
  35. pyEQL/phreeqc/database/sit.dat +14348 -0
  36. pyEQL/phreeqc/database/wateq4f.dat +4036 -0
  37. pyEQL/phreeqc/ext/README.md +10 -0
  38. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/CMakeLists.txt +476 -0
  39. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/INSTALL +302 -0
  40. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/IPhreeqc.rc +61 -0
  41. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/IPhreeqcConfig.cmake.in +4 -0
  42. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.am +8 -0
  43. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.in +816 -0
  44. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/aclocal.m4 +1217 -0
  45. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/ALL_BUILD.vcxproj +185 -0
  46. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/ALL_BUILD.vcxproj.filters +8 -0
  47. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/generate.stamp +1 -0
  48. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/generate.stamp.depend +79 -0
  49. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CTestTestfile.cmake +6 -0
  50. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Continuous.vcxproj +240 -0
  51. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Continuous.vcxproj.filters +17 -0
  52. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/DartConfiguration.tcl +109 -0
  53. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Experimental.vcxproj +240 -0
  54. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Experimental.vcxproj.filters +17 -0
  55. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/INSTALL.vcxproj +209 -0
  56. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/INSTALL.vcxproj.filters +13 -0
  57. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/CSelectedOutput.obj +0 -0
  58. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Dictionary.obj +0 -0
  59. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ExchComp.obj +0 -0
  60. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Exchange.obj +0 -0
  61. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/GasComp.obj +0 -0
  62. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/GasPhase.obj +0 -0
  63. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.lib.recipe +11 -0
  64. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.obj +0 -0
  65. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.command.1.tlog +0 -0
  66. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.read.1.tlog +0 -0
  67. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.write.1.tlog +0 -0
  68. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Cl.items.tlog +82 -0
  69. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.command.1.tlog +10 -0
  70. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.read.1.tlog +78 -0
  71. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.write.1.tlog +2 -0
  72. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/IPhreeqc.lastbuildstate +2 -0
  73. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib-link.read.1.tlog +0 -0
  74. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib-link.write.1.tlog +0 -0
  75. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib.command.1.tlog +0 -0
  76. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqcLib.obj +0 -0
  77. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc_interface_F.obj +0 -0
  78. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ISolution.obj +0 -0
  79. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ISolutionComp.obj +0 -0
  80. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Keywords.obj +0 -0
  81. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/KineticsComp.obj +0 -0
  82. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/NameDouble.obj +0 -0
  83. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/NumKeyword.obj +0 -0
  84. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PBasic.obj +0 -0
  85. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_base.obj +0 -0
  86. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_io.obj +0 -0
  87. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_io_output.obj +0 -0
  88. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PPassemblage.obj +0 -0
  89. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PPassemblageComp.obj +0 -0
  90. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Parser.obj +0 -0
  91. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Phreeqc.obj +0 -0
  92. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Pressure.obj +0 -0
  93. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Reaction.obj +0 -0
  94. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ReadClass.obj +0 -0
  95. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SS.obj +0 -0
  96. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SSassemblage.obj +0 -0
  97. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SScomp.obj +0 -0
  98. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SelectedOutput.obj +0 -0
  99. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Serializer.obj +0 -0
  100. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Solution.obj +0 -0
  101. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SolutionIsotope.obj +0 -0
  102. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/StorageBin.obj +0 -0
  103. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/StorageBinList.obj +0 -0
  104. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Surface.obj +0 -0
  105. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SurfaceCharge.obj +0 -0
  106. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SurfaceComp.obj +0 -0
  107. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/System.obj +0 -0
  108. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Temperature.obj +0 -0
  109. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Use.obj +0 -0
  110. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/UserPunch.obj +0 -0
  111. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Utils.obj +0 -0
  112. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Var.obj +0 -0
  113. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/advection.obj +0 -0
  114. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/basicsubs.obj +0 -0
  115. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cl1.obj +0 -0
  116. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cvdense.obj +0 -0
  117. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cvode.obj +0 -0
  118. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cxxKinetics.obj +0 -0
  119. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cxxMix.obj +0 -0
  120. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/dense.obj +0 -0
  121. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/dumper.obj +0 -0
  122. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/gases.obj +0 -0
  123. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/input.obj +0 -0
  124. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/integrate.obj +0 -0
  125. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/inverse.obj +0 -0
  126. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/isotopes.obj +0 -0
  127. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/kinetics.obj +0 -0
  128. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/mainsubs.obj +0 -0
  129. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/model.obj +0 -0
  130. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/nvector.obj +0 -0
  131. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/nvector_serial.obj +0 -0
  132. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/parse.obj +0 -0
  133. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/phqalloc.obj +0 -0
  134. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/pitzer.obj +0 -0
  135. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/pitzer_structures.obj +0 -0
  136. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/prep.obj +0 -0
  137. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/print.obj +0 -0
  138. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/read.obj +0 -0
  139. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/readtr.obj +0 -0
  140. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/runner.obj +0 -0
  141. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/sit.obj +0 -0
  142. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/smalldense.obj +0 -0
  143. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/spread.obj +0 -0
  144. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/step.obj +0 -0
  145. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/structures.obj +0 -0
  146. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/sundialsmath.obj +0 -0
  147. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/tally.obj +0 -0
  148. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/tidy.obj +0 -0
  149. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/transport.obj +0 -0
  150. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/utilities.obj +0 -0
  151. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.sln +116 -0
  152. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.vcxproj +443 -0
  153. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.vcxproj.filters +456 -0
  154. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Nightly.vcxproj +240 -0
  155. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Nightly.vcxproj.filters +17 -0
  156. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/NightlyMemoryCheck.vcxproj +240 -0
  157. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/NightlyMemoryCheck.vcxproj.filters +17 -0
  158. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Release/IPhreeqc.lib +0 -0
  159. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/cmake_install.cmake +40 -0
  160. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/ar-lib +270 -0
  161. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/compile +347 -0
  162. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/config.guess +1441 -0
  163. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/config.sub +1813 -0
  164. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/depcomp +791 -0
  165. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/install-sh +508 -0
  166. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/ltmain.sh +11156 -0
  167. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/missing +215 -0
  168. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/test-driver +148 -0
  169. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/configure +23867 -0
  170. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/configure.ac +136 -0
  171. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Amm.dat +1968 -0
  172. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/CMakeLists.txt +32 -0
  173. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/ColdChem.dat +267 -0
  174. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Concrete_PHR.dat +158 -0
  175. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Concrete_PZ.dat +195 -0
  176. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Kinec.v2.dat +12039 -0
  177. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Kinec_v3.dat +12159 -0
  178. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Makefile.am +28 -0
  179. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Makefile.in +530 -0
  180. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat +12965 -0
  181. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Tipping_Hurley.dat +4137 -0
  182. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/core10.dat +6824 -0
  183. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/frezchem.dat +634 -0
  184. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/iso.dat +7235 -0
  185. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/llnl.dat +19310 -0
  186. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/minteq.dat +5654 -0
  187. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/minteq.v4.dat +13212 -0
  188. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/phreeqc.dat +1972 -0
  189. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/phreeqc_rates.dat +3158 -0
  190. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/pitzer.dat +1044 -0
  191. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/sit.dat +14348 -0
  192. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/wateq4f.dat +4036 -0
  193. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/CMakeLists.txt +35 -0
  194. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/IPhreeqc.pdf +0 -0
  195. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/Makefile.am +24 -0
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  389. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Pressure.h +43 -0
  390. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Reaction.cxx +284 -0
  391. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Reaction.h +57 -0
  392. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ReadClass.cxx +1150 -0
  393. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SS.cxx +609 -0
  394. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SS.h +128 -0
  395. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SSassemblage.cxx +317 -0
  396. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SSassemblage.h +59 -0
  397. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SScomp.cxx +297 -0
  398. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SScomp.h +66 -0
  399. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.cpp +115 -0
  400. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.h +209 -0
  401. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.cxx +213 -0
  402. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.h +42 -0
  403. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.cxx +1795 -0
  404. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.h +154 -0
  405. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.cxx +333 -0
  406. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.h +85 -0
  407. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.cxx +1507 -0
  408. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.h +141 -0
  409. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.cpp +358 -0
  410. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.h +81 -0
  411. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.cxx +837 -0
  412. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.h +108 -0
  413. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.cxx +617 -0
  414. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.h +137 -0
  415. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.cxx +509 -0
  416. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.h +70 -0
  417. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.cxx +103 -0
  418. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.h +89 -0
  419. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.cxx +423 -0
  420. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.h +42 -0
  421. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.cpp +78 -0
  422. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.h +159 -0
  423. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.cpp +32 -0
  424. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.h +39 -0
  425. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ZedGraph.dll +0 -0
  426. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/advection.cpp +140 -0
  427. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/basicsubs.cpp +4333 -0
  428. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cl1.cpp +881 -0
  429. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.cxx +117 -0
  430. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.h +48 -0
  431. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_exports.h +20 -0
  432. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.cpp +914 -0
  433. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.h +207 -0
  434. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.cxx +1331 -0
  435. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.h +310 -0
  436. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.cxx +263 -0
  437. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.h +29 -0
  438. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/phrqtype.h +18 -0
  439. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.cpp +566 -0
  440. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.h +267 -0
  441. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.cpp +3939 -0
  442. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.h +940 -0
  443. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.cxx +617 -0
  444. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.h +78 -0
  445. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.cxx +154 -0
  446. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.h +58 -0
  447. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.cpp +175 -0
  448. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.h +341 -0
  449. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.cpp +277 -0
  450. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.h +60 -0
  451. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/gases.cpp +748 -0
  452. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/global_structures.h +1672 -0
  453. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/input.cpp +133 -0
  454. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/integrate.cpp +1219 -0
  455. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/inverse.cpp +5135 -0
  456. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/isotopes.cpp +1813 -0
  457. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/kinetics.cpp +3180 -0
  458. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/mainsubs.cpp +2320 -0
  459. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/model.cpp +5843 -0
  460. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.cpp +272 -0
  461. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.h +485 -0
  462. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.cpp +1032 -0
  463. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.h +369 -0
  464. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/parse.cpp +1044 -0
  465. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.cpp +316 -0
  466. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.h +47 -0
  467. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer.cpp +2709 -0
  468. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer_structures.cpp +225 -0
  469. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/prep.cpp +6267 -0
  470. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/print.cpp +3673 -0
  471. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/read.cpp +10245 -0
  472. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/readtr.cpp +1495 -0
  473. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.cpp +158 -0
  474. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.h +33 -0
  475. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sit.cpp +1684 -0
  476. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.cpp +324 -0
  477. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.h +261 -0
  478. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/spread.cpp +1309 -0
  479. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/step.cpp +1566 -0
  480. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/structures.cpp +3381 -0
  481. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.cpp +133 -0
  482. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.h +162 -0
  483. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialstypes.h +183 -0
  484. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tally.cpp +1288 -0
  485. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tidy.cpp +5600 -0
  486. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/transport.cpp +6403 -0
  487. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/utilities.cpp +1339 -0
  488. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/thread.h +64 -0
  489. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/CMakeLists.txt +133 -0
  490. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.am +45 -0
  491. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.in +1128 -0
  492. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/ex2.in +26 -0
  493. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main.f90 +31 -0
  494. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main77.f +6 -0
  495. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main_fortran.cxx +8 -0
  496. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/phreeqc.dat.in +1556 -0
  497. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_c.c +148 -0
  498. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_cxx.cxx +152 -0
  499. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_f90.F90 +328 -0
  500. pyEQL/phreeqc/iphreeqc_wrapper.cpp +75 -0
  501. pyEQL/phreeqc/solution.py +74 -0
  502. pyEQL/phreeqc/var.py +50 -0
  503. pyEQL/presets/Ringers lactate.yaml +20 -0
  504. pyEQL/presets/__init__.py +17 -0
  505. pyEQL/presets/normal saline.yaml +17 -0
  506. pyEQL/presets/rainwater.yaml +17 -0
  507. pyEQL/presets/seawater.yaml +29 -0
  508. pyEQL/presets/urine.yaml +26 -0
  509. pyEQL/presets/wastewater.yaml +21 -0
  510. pyEQL/py.typed +0 -0
  511. pyEQL/salt_ion_match.py +112 -0
  512. pyEQL/solute.py +163 -0
  513. pyEQL/solution.py +2714 -0
  514. pyEQL/utils.py +237 -0
  515. pyeql-1.4.0rc9.dist-info/METADATA +130 -0
  516. pyeql-1.4.0rc9.dist-info/RECORD +519 -0
  517. pyeql-1.4.0rc9.dist-info/WHEEL +5 -0
  518. pyeql-1.4.0rc9.dist-info/licenses/AUTHORS.md +21 -0
  519. pyeql-1.4.0rc9.dist-info/licenses/LICENSE.txt +20 -0
@@ -0,0 +1,242 @@
1
+ #include "Keywords.h"
2
+
3
+ #if defined(PHREEQCI_GUI)
4
+ #ifdef _DEBUG
5
+ #define new DEBUG_NEW
6
+ #undef THIS_FILE
7
+ static char THIS_FILE[] = __FILE__;
8
+ #endif
9
+ #endif
10
+
11
+ Keywords::Keywords(void)
12
+ {
13
+ }
14
+
15
+
16
+ Keywords::~Keywords(void)
17
+ {
18
+ }
19
+
20
+ Keywords::KEYWORDS Keywords::Keyword_search(std::string key)
21
+ {
22
+ std::map<const std::string, Keywords::KEYWORDS>::const_iterator it;
23
+ it = phreeqc_keywords.find(key);
24
+ if (it != Keywords::phreeqc_keywords.end())
25
+ {
26
+ return it->second;
27
+ }
28
+ return Keywords::KEY_NONE;
29
+ }
30
+
31
+ const std::string & Keywords::Keyword_name_search(Keywords::KEYWORDS key)
32
+ {
33
+ std::map<Keywords::KEYWORDS, const std::string>::const_iterator it;
34
+ it = phreeqc_keyword_names.find(key);
35
+ if (it != Keywords::phreeqc_keyword_names.end())
36
+ {
37
+ return it->second;
38
+ }
39
+ it = phreeqc_keyword_names.find(KEY_NONE);
40
+ return it->second;
41
+ }
42
+
43
+ const std::map<const std::string, Keywords::KEYWORDS>::value_type temp_keywords[] = {
44
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("eof", Keywords::KEY_END),
45
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("end", Keywords::KEY_END),
46
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_species", Keywords::KEY_SOLUTION_SPECIES),
47
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_master_species", Keywords::KEY_SOLUTION_MASTER_SPECIES),
48
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solution", Keywords::KEY_SOLUTION),
49
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("phases", Keywords::KEY_PHASES),
50
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("pure_phases", Keywords::KEY_EQUILIBRIUM_PHASES),
51
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction", Keywords::KEY_REACTION),
52
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix", Keywords::KEY_MIX),
53
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("use", Keywords::KEY_USE),
54
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("save", Keywords::KEY_SAVE),
55
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_species", Keywords::KEY_EXCHANGE_SPECIES),
56
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_master_species", Keywords::KEY_EXCHANGE_MASTER_SPECIES),
57
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange", Keywords::KEY_EXCHANGE),
58
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_species", Keywords::KEY_SURFACE_SPECIES),
59
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_master_species", Keywords::KEY_SURFACE_MASTER_SPECIES),
60
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("surface", Keywords::KEY_SURFACE),
61
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_temperature", Keywords::KEY_REACTION_TEMPERATURE),
62
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("inverse_modeling", Keywords::KEY_INVERSE_MODELING),
63
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_phase", Keywords::KEY_GAS_PHASE),
64
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("transport", Keywords::KEY_TRANSPORT),
65
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("debug", Keywords::KEY_KNOBS),
66
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("selected_output", Keywords::KEY_SELECTED_OUTPUT),
67
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("select_output", Keywords::KEY_SELECTED_OUTPUT),
68
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("knobs", Keywords::KEY_KNOBS),
69
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("print", Keywords::KEY_PRINT),
70
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phases", Keywords::KEY_EQUILIBRIUM_PHASES),
71
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibria", Keywords::KEY_EQUILIBRIUM_PHASES),
72
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium", Keywords::KEY_EQUILIBRIUM_PHASES),
73
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("pure", Keywords::KEY_EQUILIBRIUM_PHASES),
74
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("title", Keywords::KEY_TITLE),
75
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("comment", Keywords::KEY_TITLE),
76
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("advection", Keywords::KEY_ADVECTION),
77
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("kinetics", Keywords::KEY_KINETICS),
78
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("incremental_reactions", Keywords::KEY_INCREMENTAL_REACTIONS),
79
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("incremental", Keywords::KEY_INCREMENTAL_REACTIONS),
80
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("rates", Keywords::KEY_RATES),
81
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_s", Keywords::KEY_SOLUTION_SPREAD),
82
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("user_print", Keywords::KEY_USER_PRINT),
83
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("user_punch", Keywords::KEY_USER_PUNCH),
84
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solutions", Keywords::KEY_SOLID_SOLUTIONS),
85
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solution", Keywords::KEY_SOLID_SOLUTIONS),
86
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_spread", Keywords::KEY_SOLUTION_SPREAD),
87
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("spread_solution", Keywords::KEY_SOLUTION_SPREAD),
88
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("selected_out", Keywords::KEY_SELECTED_OUTPUT),
89
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("select_out", Keywords::KEY_SELECTED_OUTPUT),
90
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("user_graph", Keywords::KEY_USER_GRAPH),
91
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("llnl_aqueous_model_parameters",Keywords::KEY_LLNL_AQUEOUS_MODEL_PARAMETERS),
92
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("llnl_aqueous_model", Keywords::KEY_LLNL_AQUEOUS_MODEL_PARAMETERS),
93
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("database", Keywords::KEY_DATABASE),
94
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("named_analytical_expression", Keywords::KEY_NAMED_EXPRESSIONS),
95
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("named_analytical_expressions", Keywords::KEY_NAMED_EXPRESSIONS),
96
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("named_expressions", Keywords::KEY_NAMED_EXPRESSIONS),
97
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("named_log_k", Keywords::KEY_NAMED_EXPRESSIONS),
98
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("isotopes", Keywords::KEY_ISOTOPES),
99
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("calculate_values", Keywords::KEY_CALCULATE_VALUES),
100
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("isotope_ratios", Keywords::KEY_ISOTOPE_RATIOS),
101
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("isotope_alphas", Keywords::KEY_ISOTOPE_ALPHAS),
102
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("copy", Keywords::KEY_COPY),
103
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("pitzer", Keywords::KEY_PITZER),
104
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("sit", Keywords::KEY_SIT),
105
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phase", Keywords::KEY_EQUILIBRIUM_PHASES),
106
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_raw", Keywords::KEY_SOLUTION_RAW),
107
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_raw", Keywords::KEY_EXCHANGE_RAW),
108
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_raw", Keywords::KEY_SURFACE_RAW),
109
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phases_raw", Keywords::KEY_EQUILIBRIUM_PHASES_RAW),
110
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("kinetics_raw", Keywords::KEY_KINETICS_RAW),
111
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solutions_raw", Keywords::KEY_SOLID_SOLUTIONS_RAW),
112
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_phase_raw", Keywords::KEY_GAS_PHASE_RAW),
113
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_raw", Keywords::KEY_REACTION_RAW),
114
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_raw", Keywords::KEY_MIX_RAW),
115
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_temperature_raw", Keywords::KEY_REACTION_TEMPERATURE_RAW),
116
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("dump", Keywords::KEY_DUMP),
117
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_modify", Keywords::KEY_SOLUTION_MODIFY),
118
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phases_modify", Keywords::KEY_EQUILIBRIUM_PHASES_MODIFY),
119
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_modify", Keywords::KEY_EXCHANGE_MODIFY),
120
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_modify", Keywords::KEY_SURFACE_MODIFY),
121
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solutions_modify", Keywords::KEY_SOLID_SOLUTIONS_MODIFY),
122
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_phase_modify", Keywords::KEY_GAS_PHASE_MODIFY),
123
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("kinetics_modify", Keywords::KEY_KINETICS_MODIFY),
124
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("delete", Keywords::KEY_DELETE),
125
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("run_cells", Keywords::KEY_RUN_CELLS),
126
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_modify", Keywords::KEY_REACTION_MODIFY),
127
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_temperature_modify", Keywords::KEY_REACTION_TEMPERATURE_MODIFY),
128
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solution_modify", Keywords::KEY_SOLID_SOLUTIONS_MODIFY),
129
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure", Keywords::KEY_REACTION_PRESSURE),
130
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressures", Keywords::KEY_REACTION_PRESSURE),
131
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure_raw", Keywords::KEY_REACTION_PRESSURE_RAW),
132
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure_modify", Keywords::KEY_REACTION_PRESSURE_MODIFY),
133
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_pk", Keywords::KEY_RATE_PARAMETERS_PK),
134
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_svd", Keywords::KEY_RATE_PARAMETERS_SVD),
135
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_hermanska", Keywords::KEY_RATE_PARAMETERS_HERMANSKA),
136
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mean_gammas", Keywords::KEY_MEAN_GAMMAS),
137
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_binary_parameters", Keywords::KEY_GAS_BINARY_PARAMETERS),
138
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_mix", Keywords::KEY_SOLUTION_MIX),
139
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_solution", Keywords::KEY_SOLUTION_MIX),
140
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_mix", Keywords::KEY_EXCHANGE_MIX),
141
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_exchange", Keywords::KEY_EXCHANGE_MIX),
142
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_phase_mix", Keywords::KEY_GAS_PHASE_MIX),
143
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_gas_phase", Keywords::KEY_GAS_PHASE_MIX),
144
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("kinetics_mix", Keywords::KEY_KINETICS_MIX),
145
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_kinetics", Keywords::KEY_KINETICS_MIX),
146
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phases_mix", Keywords::KEY_PPASSEMBLAGE_MIX),
147
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_equilibrium_phases", Keywords::KEY_PPASSEMBLAGE_MIX),
148
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phase_mix", Keywords::KEY_PPASSEMBLAGE_MIX),
149
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_equilibrium_phase", Keywords::KEY_PPASSEMBLAGE_MIX),
150
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solutions_mix", Keywords::KEY_SSASSEMBLAGE_MIX),
151
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_solid_solutions", Keywords::KEY_SSASSEMBLAGE_MIX),
152
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solution_mix", Keywords::KEY_SSASSEMBLAGE_MIX),
153
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_solid_solution", Keywords::KEY_SSASSEMBLAGE_MIX),
154
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_mix", Keywords::KEY_SURFACE_MIX),
155
+ std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_surface", Keywords::KEY_SURFACE_MIX)
156
+ };
157
+ const std::map<const std::string, Keywords::KEYWORDS> Keywords::phreeqc_keywords(temp_keywords, temp_keywords + sizeof temp_keywords / sizeof temp_keywords[0]);
158
+
159
+ const std::map<Keywords::KEYWORDS, std::string>::value_type temp_keyword_names[] = {
160
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_NONE, "UNKNOWN"),
161
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_END, "END"),
162
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_SPECIES, "SOLUTION_SPECIES"),
163
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_MASTER_SPECIES, "SOLUTION_MASTER_SPECIES"),
164
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION, "SOLUTION"),
165
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PHASES, "PHASES"),
166
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION, "REACTION"),
167
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_MIX, "MIX"),
168
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_USE, "USE"),
169
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SAVE, "SAVE"),
170
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_SPECIES, "EXCHANGE_SPECIES"),
171
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_MASTER_SPECIES, "EXCHANGE_MASTER_SPECIES"),
172
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE, "EXCHANGE"),
173
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_SPECIES, "SURFACE_SPECIES"),
174
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_MASTER_SPECIES, "SURFACE_MASTER_SPECIES"),
175
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE, "SURFACE"),
176
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_TEMPERATURE, "REACTION_TEMPERATURE"),
177
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_INVERSE_MODELING, "INVERSE_MODELING"),
178
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE, "GAS_PHASE"),
179
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_TRANSPORT, "TRANSPORT"),
180
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SELECTED_OUTPUT, "SELECTED_OUTPUT"),
181
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KNOBS, "KNOBS"),
182
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PRINT, "PRINT"),
183
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EQUILIBRIUM_PHASES, "EQUILIBRIUM_PHASES"),
184
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_TITLE, "TITLE"),
185
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_ADVECTION, "ADVECTION"),
186
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS, "KINETICS"),
187
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_INCREMENTAL_REACTIONS, "INCREMENTAL_REACTIONS"),
188
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATES, "RATES"),
189
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_USER_PRINT, "USER_PRINT"),
190
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_USER_PUNCH, "USER_PUNCH"),
191
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLID_SOLUTIONS, "SOLID_SOLUTIONS"),
192
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_SPREAD, "SOLUTION_SPREAD"),
193
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_USER_GRAPH, "USER_GRAPH"),
194
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_LLNL_AQUEOUS_MODEL_PARAMETERS,"LLNL_AQUEOUS_MODEL_PARAMETERS"),
195
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_DATABASE, "DATABASE"),
196
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_NAMED_EXPRESSIONS, "NAMED_EXPRESSIONS"),
197
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_ISOTOPES, "ISOTOPES"),
198
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_CALCULATE_VALUES, "CALCULATE_VALUES"),
199
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_ISOTOPE_RATIOS, "ISOTOPE_RATIOS"),
200
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_ISOTOPE_ALPHAS, "ISOTOPE_ALPHAS"),
201
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_COPY, "COPY"),
202
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PITZER, "PITZER"),
203
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SIT, "SIT"),
204
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_RAW, "SOLUTION_RAW"),
205
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_RAW, "EXCHANGE_RAW"),
206
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_RAW, "SURFACE_RAW"),
207
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EQUILIBRIUM_PHASES_RAW, "EQUILIBRIUM_PHASES_RAW"),
208
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS_RAW, "KINETICS_RAW"),
209
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLID_SOLUTIONS_RAW, "SOLID_SOLUTIONS_RAW"),
210
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE_RAW, "GAS_PHASE_RAW"),
211
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_RAW, "REACTION_RAW"),
212
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_MIX_RAW, "MIX_RAW"),
213
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_TEMPERATURE_RAW, "REACTION_TEMPERATURE_RAW"),
214
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_DUMP, "DUMP"),
215
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_MODIFY, "SOLUTION_MODIFY"),
216
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EQUILIBRIUM_PHASES_MODIFY, "EQUILIBRIUM_PHASES_MODIFY"),
217
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_MODIFY, "EXCHANGE_MODIFY"),
218
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_MODIFY, "SURFACE_MODIFY"),
219
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLID_SOLUTIONS_MODIFY, "SOLID_SOLUTIONS_MODIFY"),
220
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE_MODIFY, "GAS_PHASE_MODIFY"),
221
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS_MODIFY, "KINETICS_MODIFY"),
222
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_DELETE, "DELETE"),
223
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RUN_CELLS, "RUN_CELLS"),
224
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_MODIFY, "REACTION_MODIFY"),
225
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_TEMPERATURE_MODIFY, "REACTION_TEMPERATURE_MODIFY"),
226
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE, "REACTION_PRESSURE"),
227
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE_RAW, "REACTION_PRESSURE_RAW"),
228
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE_MODIFY, "REACTION_PRESSURE_MODIFY"),
229
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_PK, "RATE_PARAMETERS_PK"),
230
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_SVD, "RATE_PARAMETERS_SVD"),
231
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_HERMANSKA, "RATE_PARAMETERS_HERMANSKA"),
232
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_MEAN_GAMMAS, "MEAN_GAMMAS"),
233
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_BINARY_PARAMETERS, "GAS_BINARY_PARAMETERS"),
234
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_MIX, "SOLUTION_MIX"),
235
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_MIX, "EXCHANGE_MIX"),
236
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE_MIX, "GAS_PHASE_MIX"),
237
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS_MIX, "KINETICS_MIX"),
238
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PPASSEMBLAGE_MIX, "EQUILIBRIUM_PHASES_MIX"),
239
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SSASSEMBLAGE_MIX, "SOLID_SOLUTIONS_MIX"),
240
+ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_MIX, "SURFACE_MIX")
241
+ };
242
+ const std::map<Keywords::KEYWORDS, const std::string> Keywords::phreeqc_keyword_names(temp_keyword_names, temp_keyword_names + sizeof temp_keyword_names / sizeof temp_keyword_names[0]);
@@ -0,0 +1,104 @@
1
+ #ifndef _INC_KEYWORDS_H
2
+ #define _INC_KEYWORDS_H
3
+ #include <string>
4
+ #include <map>
5
+ class Keywords
6
+ {
7
+ public:
8
+ enum KEYWORDS
9
+ {
10
+ KEY_NONE,
11
+ KEY_END,
12
+ KEY_SOLUTION_SPECIES,
13
+ KEY_SOLUTION_MASTER_SPECIES,
14
+ KEY_SOLUTION,
15
+ KEY_PHASES,
16
+ KEY_REACTION,
17
+ KEY_MIX,
18
+ KEY_USE,
19
+ KEY_SAVE,
20
+ KEY_EXCHANGE_SPECIES,
21
+ KEY_EXCHANGE_MASTER_SPECIES,
22
+ KEY_EXCHANGE,
23
+ KEY_SURFACE_SPECIES,
24
+ KEY_SURFACE_MASTER_SPECIES,
25
+ KEY_SURFACE,
26
+ KEY_REACTION_TEMPERATURE,
27
+ KEY_INVERSE_MODELING,
28
+ KEY_GAS_PHASE,
29
+ KEY_TRANSPORT,
30
+ KEY_SELECTED_OUTPUT,
31
+ KEY_KNOBS,
32
+ KEY_PRINT,
33
+ KEY_EQUILIBRIUM_PHASES,
34
+ KEY_TITLE,
35
+ KEY_ADVECTION,
36
+ KEY_KINETICS,
37
+ KEY_INCREMENTAL_REACTIONS,
38
+ KEY_RATES,
39
+ KEY_USER_PRINT,
40
+ KEY_USER_PUNCH,
41
+ KEY_SOLID_SOLUTIONS,
42
+ KEY_SOLUTION_SPREAD,
43
+ KEY_USER_GRAPH,
44
+ KEY_LLNL_AQUEOUS_MODEL_PARAMETERS,
45
+ KEY_DATABASE,
46
+ KEY_NAMED_EXPRESSIONS,
47
+ KEY_ISOTOPES,
48
+ KEY_CALCULATE_VALUES,
49
+ KEY_ISOTOPE_RATIOS,
50
+ KEY_ISOTOPE_ALPHAS,
51
+ KEY_COPY,
52
+ KEY_PITZER,
53
+ KEY_SIT,
54
+ KEY_SOLUTION_RAW,
55
+ KEY_EXCHANGE_RAW,
56
+ KEY_SURFACE_RAW,
57
+ KEY_EQUILIBRIUM_PHASES_RAW,
58
+ KEY_KINETICS_RAW,
59
+ KEY_SOLID_SOLUTIONS_RAW,
60
+ KEY_GAS_PHASE_RAW,
61
+ KEY_REACTION_RAW,
62
+ KEY_MIX_RAW,
63
+ KEY_REACTION_TEMPERATURE_RAW,
64
+ KEY_DUMP,
65
+ KEY_SOLUTION_MODIFY,
66
+ KEY_EQUILIBRIUM_PHASES_MODIFY,
67
+ KEY_EXCHANGE_MODIFY,
68
+ KEY_SURFACE_MODIFY,
69
+ KEY_SOLID_SOLUTIONS_MODIFY,
70
+ KEY_GAS_PHASE_MODIFY,
71
+ KEY_KINETICS_MODIFY,
72
+ KEY_DELETE,
73
+ KEY_RUN_CELLS,
74
+ KEY_REACTION_MODIFY,
75
+ KEY_REACTION_TEMPERATURE_MODIFY,
76
+ KEY_REACTION_PRESSURE,
77
+ KEY_REACTION_PRESSURE_RAW,
78
+ KEY_REACTION_PRESSURE_MODIFY,
79
+ KEY_RATE_PARAMETERS_PK,
80
+ KEY_RATE_PARAMETERS_SVD,
81
+ KEY_RATE_PARAMETERS_HERMANSKA,
82
+ KEY_MEAN_GAMMAS,
83
+ KEY_GAS_BINARY_PARAMETERS,
84
+ KEY_SOLUTION_MIX,
85
+ KEY_EXCHANGE_MIX,
86
+ KEY_GAS_PHASE_MIX,
87
+ KEY_KINETICS_MIX,
88
+ KEY_PPASSEMBLAGE_MIX,
89
+ KEY_SSASSEMBLAGE_MIX,
90
+ KEY_SURFACE_MIX,
91
+ KEY_COUNT_KEYWORDS // must be last in list
92
+ };
93
+
94
+ Keywords(void);
95
+ ~Keywords(void);
96
+
97
+ static KEYWORDS Keyword_search(std::string key);
98
+ static const std::string & Keyword_name_search(KEYWORDS key);
99
+
100
+ static const std::map<const std::string, KEYWORDS> phreeqc_keywords;
101
+ static const std::map<KEYWORDS, const std::string> phreeqc_keyword_names;
102
+ };
103
+
104
+ #endif // _INC_KEYWORDS_H