pyEQL 1.4.0rc9__cp312-cp312-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.cp312-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 +1,572 @@
1
+ #ifndef _INC_PBasic_H
2
+ #define _INC_PBasic_H
3
+ #if defined(PHREEQCI_GUI)
4
+ #include <windows.h>
5
+ #endif
6
+ #include <map>
7
+ #include <stdio.h>
8
+ #include <limits.h>
9
+ #include <ctype.h>
10
+ #include <cmath>
11
+ #include <setjmp.h>
12
+ #include "phrqtype.h"
13
+ #include "PHRQ_base.h"
14
+ #include "global_structures.h"
15
+ class Phreeqc;
16
+
17
+ class PBasicStop : public std::exception
18
+ {
19
+ };
20
+
21
+ #define forloop 0
22
+ #define whileloop 1
23
+ #define gosubloop 2
24
+ #define checking true
25
+ #define varnamelen 20
26
+ #define maxdims 4
27
+ #define MAX_LINE 4096
28
+ #define FileNotFound 10
29
+ #define FileNotOpen 13
30
+ #define FileWriteError 38
31
+ #define BadInputFormat 14
32
+ #define EndOfFile 30
33
+ #define SETBITS 32
34
+ #define Const
35
+
36
+ typedef char varnamestring[varnamelen + 1];
37
+
38
+ /* Header file for code generated by "p2c", the Pascal-to-C translator */
39
+
40
+ /* "p2c" Copyright (C) 1989, 1990, 1991 Free Software Foundation.
41
+ * By Dave Gillespie, daveg@csvax.cs.caltech.edu. Version 1.20.
42
+ * This file may be copied, modified, etc. in any way. It is not restricted
43
+ * by the licence agreement accompanying p2c itself.
44
+ */
45
+
46
+ typedef struct varrec
47
+ {
48
+ varnamestring name;
49
+ struct varrec *next;
50
+ long dims[maxdims];
51
+ char numdims;
52
+ bool stringvar;
53
+ union
54
+ {
55
+ struct
56
+ {
57
+ LDBLE *arr;
58
+ LDBLE *val, rv;
59
+ } U0;
60
+ struct
61
+ {
62
+ char **sarr;
63
+ char **sval, *sv;
64
+ } U1;
65
+ } UU;
66
+ } varrec;
67
+
68
+ typedef struct tokenrec
69
+ {
70
+ struct tokenrec *next;
71
+ int kind;
72
+ union
73
+ {
74
+ struct varrec *vp;
75
+ LDBLE num;
76
+ char *sp;
77
+ char snch;
78
+ } UU;
79
+ //#ifdef PHREEQCI_GUI
80
+ size_t n_sz;
81
+ char *sz_num;
82
+ size_t sp_sz;
83
+ //#endif
84
+ } tokenrec;
85
+
86
+ typedef struct linerec
87
+ {
88
+ long num, num2;
89
+ tokenrec *txt;
90
+ char inbuf[MAX_LINE];
91
+ struct linerec *next;
92
+ } linerec;
93
+
94
+ class valrec
95
+ {
96
+ public:
97
+ valrec()
98
+ {
99
+ stringval = false;
100
+ UU.val = 0;
101
+ }
102
+ ~valrec() {}
103
+ bool stringval;
104
+ union
105
+ {
106
+ LDBLE val;
107
+ char *sval;
108
+ } UU;
109
+ };
110
+
111
+ typedef struct looprec
112
+ {
113
+ struct looprec *next;
114
+ linerec *homeline;
115
+ tokenrec *hometok;
116
+ int kind;
117
+ union
118
+ {
119
+ struct
120
+ {
121
+ varrec *vp;
122
+ LDBLE max, step;
123
+ } U0;
124
+ } UU;
125
+ } looprec;
126
+
127
+ /* variables for exec: */
128
+ struct LOC_exec
129
+ {
130
+ bool gotoflag, elseflag;
131
+ tokenrec *t;
132
+ };
133
+
134
+ class PBasic: public PHRQ_base
135
+ {
136
+ public:
137
+ PBasic(Phreeqc *ptr, PHRQ_io *phrq_io=NULL);
138
+ virtual ~PBasic();
139
+
140
+ enum BASIC_TOKEN
141
+ {
142
+ tokvar,
143
+ toknum,
144
+ tokstr,
145
+ toksnerr,
146
+ tokplus,
147
+ tokminus,
148
+ toktimes,
149
+ tokdiv,
150
+ tokup,
151
+ toklp,
152
+ tokrp,
153
+ tokcomma,
154
+ toksemi,
155
+ tokcolon,
156
+ tokeq,
157
+ toklt,
158
+ tokgt,
159
+ tokle,
160
+ tokge,
161
+ tokne,
162
+ tokand,
163
+ tokor,
164
+ tokxor,
165
+ tokmod,
166
+ toknot,
167
+ toksqr,
168
+ toksqrt,
169
+ toksin,
170
+ tokcos,
171
+ toktan,
172
+ tokarctan,
173
+ toklog,
174
+ toklog10,
175
+ tokexp,
176
+ tokabs,
177
+ toksgn,
178
+ tokstr_,
179
+ tokval,
180
+ tokchr_,
181
+ tokasc,
182
+ toklen,
183
+ tokmid_,
184
+ tokpeek,
185
+ tokrem,
186
+ toklet,
187
+ tokinput,
188
+ tokgoto,
189
+ tokif,
190
+ tokend,
191
+ tokstop,
192
+ tokfor,
193
+ toknext,
194
+ tokwhile,
195
+ tokwend,
196
+ tokgosub,
197
+ tokreturn,
198
+ tokread,
199
+ tokdata,
200
+ tokrestore,
201
+ tokgotoxy,
202
+ tokon,
203
+ tokdim,
204
+ tokpoke,
205
+ toklist,
206
+ tokrun,
207
+ toknew,
208
+ tokload,
209
+ tokmerge,
210
+ tokbye,
211
+ tokdel,
212
+ tokrenum,
213
+ tokthen,
214
+ tokelse,
215
+ tokto,
216
+ tokstep,
217
+ /* start phreeqc */
218
+ tokact,
219
+ tokadd_heading,
220
+ tokalk,
221
+ tokaphi,
222
+ tokcalc_value,
223
+ tokceil,
224
+ tokcell_no,
225
+ tokchange_por,
226
+ tokchange_surf,
227
+ tokcharge_balance,
228
+ tokcurrent_a,
229
+ tokdebye_length,
230
+ tokdelta_h_phase,
231
+ tokdelta_h_species,
232
+ tokdescription,
233
+ tokdh_a,
234
+ tokdh_a0,
235
+ tokdh_av,
236
+ tokdh_b,
237
+ tokdh_bdot,
238
+ tokdiff_c,
239
+ tokdist,
240
+ tokedl,
241
+ tokedl_species,
242
+ tokeol_,
243
+ tokeol_notab_,
244
+ tokeps_r,
245
+ tokeq_frac,
246
+ tokequiv_frac,
247
+ tokequi,
248
+ tokequi_delta,
249
+ tokerase,
250
+ tokexists,
251
+ tokfloor,
252
+ tokgamma,
253
+ tokgas,
254
+ tokgas_p,
255
+ tokgas_vm,
256
+ tokget,
257
+ tokget_,
258
+ tokget_por,
259
+ tokgfw,
260
+ tokgraph_x,
261
+ tokgraph_y,
262
+ tokgraph_sy,
263
+ tokinstr,
264
+ tokiso,
265
+ tokiso_unit,
266
+ tokiterations,
267
+ tokkappa,
268
+ tokkin,
269
+ tokkin_delta,
270
+ tokkin_time,
271
+ tokkinetics_formula,
272
+ tokkinetics_formula_,
273
+ tokla,
274
+ toklg,
275
+ toklist_s_s,
276
+ toklk_named,
277
+ toklk_phase,
278
+ toklk_species,
279
+ toklm,
280
+ tokltrim,
281
+ tokm,
282
+ tokm0,
283
+ tokmcd_jtot,
284
+ tokmcd_jconc,
285
+ tokmisc1,
286
+ tokmisc2,
287
+ tokmol,
288
+ tokmu,
289
+ tokno_newline_,
290
+ tokosmotic,
291
+ tokpad_,
292
+ tokpad,
293
+ tokparm,
294
+ tokrate_pk,
295
+ tokrate_svd,
296
+ tokrate_hermanska,
297
+ tokmeang,
298
+ tokpercent_error,
299
+ tokphase_formula,
300
+ tokphase_formula_,
301
+ tokphase_vm,
302
+ tokplot_xy,
303
+ tokpot_v,
304
+ tokpr_p,
305
+ tokpr_phi,
306
+ tokpressure,
307
+ tokprint,
308
+ tokpunch,
309
+ tokput,
310
+ tokput_,
311
+ tokqbrn,
312
+ tokrho,
313
+ tokrho_0,
314
+ tokrtrim,
315
+ tokrxn,
316
+ toks_s,
317
+ toksave,
318
+ toksc,
319
+ toksetdiff_c,
320
+ toksi,
321
+ toksim_no,
322
+ toksim_time,
323
+ toksoln_vol,
324
+ tokspecies_formula,
325
+ tokspecies_formula_,
326
+ tokphase_equation,
327
+ tokphase_equation_,
328
+ tokspecies_equation,
329
+ tokspecies_equation_,
330
+ toksr,
331
+ tokstep_no,
332
+ tokstr_e_,
333
+ tokstr_f_,
334
+ toksum_gas,
335
+ toksum_s_s,
336
+ toksum_species,
337
+ toksurf,
338
+ toksys,
339
+ tokt_sc,
340
+ toktc,
341
+ toktime,
342
+ toktitle,
343
+ toktk,
344
+ toktot,
345
+ toktotal_time,
346
+ toktotmole,
347
+ toktotmol,
348
+ toktotmoles,
349
+ toktrim,
350
+ tokf_visc,
351
+ tokviscos,
352
+ tokviscos_0,
353
+ tokvm,
354
+ /* end phreeqc */
355
+ toksa_declercq, // Undocumented function
356
+ tokcallback, // PHAST function
357
+ tokcell_pore_volume, // PHAST function
358
+ tokporevolume, // PHAST function
359
+ tokcell_porosity, // PHAST function
360
+ tokcell_saturation, // PHAST function
361
+ tokcell_volume, // PHAST function
362
+ toktransport_cell_no, // PHAST function
363
+ tokvelocity_x, // PHAST function
364
+ tokvelocity_y, // PHAST function
365
+ tokvelocity_z // PHAST function
366
+ };
367
+
368
+ #if !defined(PHREEQCI_GUI)
369
+ enum IDErr
370
+ {
371
+ IDS_ERR_ARRAY_ALREADY,
372
+ IDS_ERR_BAD_SUBSCRIPT,
373
+ IDS_ERR_EXTRA,
374
+ IDS_ERR_FOR_WO_NEXT,
375
+ IDS_ERR_ILLEGAL,
376
+ IDS_ERR_INFINITE_LOOP,
377
+ IDS_ERR_INPUT_NOTLEGAL,
378
+ IDS_ERR_MISMATCH,
379
+ IDS_ERR_MISSING_Q,
380
+ IDS_ERR_MISSING_RP,
381
+ IDS_ERR_NEXT_WO_FOR,
382
+ IDS_ERR_OUT_OF_DATA,
383
+ IDS_ERR_RETURN_WO_GOSUB,
384
+ IDS_ERR_SYNTAX,
385
+ IDS_ERR_UNDEF_LINE,
386
+ IDS_ERR_WEND_WO_WHILE,
387
+ IDS_ERR_WHILE_WO_WEND
388
+ };
389
+ #endif
390
+
391
+ // Methods
392
+ bool Get_phreeqci_gui(void) const {return phreeqci_gui;};
393
+ void Set_phreeqci_gui(bool tf) {phreeqci_gui = tf;};
394
+ bool Get_parse_all(void) const {return parse_all;};
395
+ void Set_parse_all(bool tf) {parse_all = tf;};
396
+ bool Get_parse_whole_program(void) const {return parse_whole_program;};
397
+ void Set_parse_whole_program(bool tf) {parse_whole_program = tf;};
398
+ int Get_nErrLineNumber(void) const {return nErrLineNumber;};
399
+ void Set_nErrLineNumber(int i) {nErrLineNumber = i;};
400
+ #if defined(PHREEQCI_GUI)
401
+ UINT Get_nIDErrPrompt(void)const {return nIDErrPrompt;};
402
+ void Set_nIDErrPrompt(UINT u) {nIDErrPrompt = u;};
403
+ int Get_P_escapecode(void)const {return P_escapecode;};
404
+ void Set_P_escapecode(int code) {P_escapecode = code;};
405
+ HANDLE Get_hInfiniteLoop(void) const {return hInfiniteLoop;};
406
+ void Set_hInfiniteLoop(HANDLE h) {hInfiniteLoop = h;};
407
+ #endif
408
+ int free_dim_stringvar(varrec *varbase);
409
+
410
+ void exec(void);
411
+ int basic_renumber(char *commands, void **lnbase, void **vbase, void **lpbase);
412
+ void restoredata(void);
413
+ void clearloops(void);
414
+ void clearvar(varrec * v);
415
+ void clearvars(void);
416
+ char * numtostr(char * Result, LDBLE n);
417
+ void parse(char * inbuf, tokenrec ** buf);
418
+ void listtokens(FILE * f, tokenrec * buf);
419
+ void disposetokens(tokenrec ** tok);
420
+ void parseinput(tokenrec ** buf);
421
+ void errormsg(const char * s);
422
+ void snerr(const char * s);
423
+ void tmerr(const char * s);
424
+ void badsubscr(void);
425
+ LDBLE realfactor(struct LOC_exec *LINK);
426
+ char * strfactor(struct LOC_exec * LINK);
427
+ char *stringfactor(char * Result, struct LOC_exec *LINK);
428
+ const char *stringfactor(std::string & Result, struct LOC_exec * LINK);
429
+ long intfactor(struct LOC_exec *LINK);
430
+ LDBLE realexpr(struct LOC_exec *LINK);
431
+ char * strexpr(struct LOC_exec * LINK);
432
+ char * stringexpr(char * Result, struct LOC_exec * LINK);
433
+ long intexpr(struct LOC_exec *LINK);
434
+ void require(int k, struct LOC_exec *LINK);
435
+ void skipparen(struct LOC_exec *LINK);
436
+ varrec * findvar(struct LOC_exec *LINK);
437
+ valrec factor(struct LOC_exec *LINK);
438
+ valrec upexpr(struct LOC_exec * LINK);
439
+ valrec term(struct LOC_exec * LINK);
440
+ valrec sexpr(struct LOC_exec * LINK);
441
+ valrec relexpr(struct LOC_exec * LINK);
442
+ valrec andexpr(struct LOC_exec * LINK);
443
+ valrec expr(struct LOC_exec *LINK);
444
+ void checkextra(struct LOC_exec *LINK);
445
+ bool iseos(struct LOC_exec *LINK);
446
+ void skiptoeos(struct LOC_exec *LINK);
447
+ linerec * findline(long n);
448
+ linerec * mustfindline(long n);
449
+ void cmdend(struct LOC_exec *LINK);
450
+ void cmdnew(struct LOC_exec *LINK);
451
+ void cmdlist(struct LOC_exec *LINK);
452
+ void cmdload(bool merging, char * name, struct LOC_exec *LINK);
453
+ void cmdrun(struct LOC_exec *LINK);
454
+ void cmdsave(struct LOC_exec *LINK);
455
+ void cmdput(struct LOC_exec *LINK);
456
+ void cmdput_(struct LOC_exec* LINK);
457
+ void cmdchange_por(struct LOC_exec *LINK);
458
+ void cmdchange_surf(struct LOC_exec *LINK);
459
+ void cmdbye(void);
460
+ void cmddel(struct LOC_exec *LINK);
461
+ void cmdrenum(struct LOC_exec *LINK);
462
+ void cmdprint(struct LOC_exec *LINK);
463
+ void cmdpunch(struct LOC_exec *LINK);
464
+ #if defined PHREEQ98 || defined MULTICHART
465
+ void cmdgraph_x(struct LOC_exec *LINK);
466
+ void cmdgraph_y(struct LOC_exec *LINK);
467
+ void cmdgraph_sy(struct LOC_exec *LINK);
468
+ #endif
469
+ #if defined MULTICHART
470
+ void cmdplot_xy(struct LOC_exec *LINK);
471
+ #endif
472
+ void cmdlet(bool implied, struct LOC_exec *LINK);
473
+ void cmdgoto(struct LOC_exec *LINK);
474
+ void cmdif(struct LOC_exec *LINK);
475
+ void cmdelse(struct LOC_exec *LINK);
476
+ bool skiploop(int up, int dn, struct LOC_exec *LINK);
477
+ void cmdfor(struct LOC_exec *LINK);
478
+ void cmdnext(struct LOC_exec *LINK);
479
+ void cmdwhile(struct LOC_exec *LINK);
480
+ void cmdwend(struct LOC_exec *LINK);
481
+ void cmdgosub(struct LOC_exec *LINK);
482
+ void cmdreturn(struct LOC_exec *LINK);
483
+ void cmdread(struct LOC_exec *LINK);
484
+ void cmddata(struct LOC_exec *LINK);
485
+ void cmdrestore(struct LOC_exec *LINK);
486
+ void cmdgotoxy(struct LOC_exec *LINK);
487
+ void cmdon(struct LOC_exec *LINK);
488
+ void cmddim(struct LOC_exec *LINK);
489
+ void cmderase(struct LOC_exec *LINK);
490
+ void cmdpoke(struct LOC_exec *LINK);
491
+ int basic_main(const char *commands);
492
+ int basic_compile(const char *commands, void **lnbase, void **vbase, void **lpbase);
493
+ int basic_run(char *commands, void *lnbase, void *vbase, void *lpbase);
494
+ int basic_init(void);
495
+ int sget_logical_line(const char **ptr, int *l, char *return_line);
496
+ long my_labs(long x);
497
+ void * my_memmove(void * d, Const void * s, size_t n);
498
+ void * my_memcpy(void * d, Const void * s, size_t n);
499
+ int my_memcmp(Const void * s1, Const void * s2, size_t n);
500
+ void * my_memset(void * d, int c, size_t n);
501
+ int my_toupper(int c);
502
+ int my_tolower(int c);
503
+ long ipow(long a, long b);
504
+ char * strsub(char *ret, char *s, int pos,
505
+ int len);
506
+ int strpos2(char *s, char *pat, int pos);
507
+ int strcicmp(char *s1, char *s2);
508
+ char * strltrim(char *s);
509
+ char * strrtrim(char *s);
510
+ void strmove(int len, char *s, int spos,
511
+ char *d, int dpos);
512
+ void strinsert(char *src, char *dst, int pos);
513
+ int P_peek(FILE * f);
514
+ int P_eof(void);
515
+ int P_eoln(FILE * f);
516
+ void P_readpaoc(FILE * f, char *s, int len);
517
+ void P_readlnpaoc(FILE * f, char *s, int len);
518
+ long P_maxpos(FILE * f);
519
+ char * P_trimname(char * fn, int len);
520
+ long memavail(void);
521
+ long maxavail(void);
522
+ long * P_setunion(long *d, long *s1, long *s2);
523
+ long * P_setint(long *d, long *s1, long *s2);
524
+ long * P_setdiff(long *d, long *s1, long *s2);
525
+ long * P_setxor(long *d, long *s1, long *s2);
526
+ long * P_addset(long *s, unsigned val);
527
+ // long * P_addsetr(long *s, unsigned v1, unsigned v2);
528
+ long * P_remset(long *s, unsigned val);
529
+ int P_setequal(long *s1, long *s2);
530
+ int P_subset(long *s1, long *s2);
531
+ long * P_setcpy(long *d, long *s);
532
+ long * P_expset(long *d, long s);
533
+ long P_packset(long *s);
534
+ int _OutMem(void);
535
+ int _CaseCheck(void);
536
+ int _NilCheck(void);
537
+ static char * _ShowEscape(char *buf, int code, int ior, char *prefix);
538
+ int _Escape(int code);
539
+ int _EscIO(int code);
540
+
541
+ // data members
542
+ protected:
543
+ Phreeqc * PhreeqcPtr;
544
+ char *inbuf;
545
+ linerec *linebase;
546
+ varrec *varbase;
547
+ looprec *loopbase;
548
+ long curline;
549
+ linerec *stmtline, *dataline;
550
+ tokenrec *stmttok, *datatok, *buf;
551
+ bool exitflag;
552
+ long EXCP_LINE;
553
+ static std::map<const std::string, BASIC_TOKEN> command_tokens;
554
+ int P_escapecode;
555
+ int P_ioresult;
556
+
557
+ bool phreeqci_gui;
558
+ bool parse_all; /* true, most function values set to 1 for testing compilation */
559
+ bool parse_whole_program;
560
+ char fnbuf[256];
561
+ #if defined(PHREEQCI_GUI)
562
+ HANDLE hInfiniteLoop;
563
+ UINT nIDErrPrompt;
564
+ #else
565
+ IDErr nIDErrPrompt;
566
+ #endif
567
+ int nErrLineNumber;
568
+ bool punch_tab;
569
+ bool skip_punch;
570
+ };
571
+
572
+ #endif /* _INC_PBasic_H */