pyEQL 1.4.0rc9__cp310-cp310-macosx_10_9_x86_64.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 (491) hide show
  1. pyEQL/__init__.py +50 -0
  2. pyEQL/_phreeqc.cpython-310-darwin.so +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/CMakeFiles/CTestScript.cmake +167 -0
  46. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/CSelectedOutput.cpp.o +0 -0
  47. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/IPhreeqc.cpp.o +0 -0
  48. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/IPhreeqcLib.cpp.o +0 -0
  49. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/IPhreeqc_interface_F.cpp.o +0 -0
  50. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/Var.c.o +0 -0
  51. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Dictionary.cpp.o +0 -0
  52. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/ExchComp.cxx.o +0 -0
  53. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Exchange.cxx.o +0 -0
  54. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/GasComp.cxx.o +0 -0
  55. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/GasPhase.cxx.o +0 -0
  56. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/ISolution.cxx.o +0 -0
  57. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/ISolutionComp.cxx.o +0 -0
  58. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/KineticsComp.cxx.o +0 -0
  59. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/NameDouble.cxx.o +0 -0
  60. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/NumKeyword.cxx.o +0 -0
  61. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/PBasic.cpp.o +0 -0
  62. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/PHRQ_io_output.cpp.o +0 -0
  63. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/PPassemblage.cxx.o +0 -0
  64. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/PPassemblageComp.cxx.o +0 -0
  65. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Phreeqc.cpp.o +0 -0
  66. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/PhreeqcKeywords/Keywords.cpp.o +0 -0
  67. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Pressure.cxx.o +0 -0
  68. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Reaction.cxx.o +0 -0
  69. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/ReadClass.cxx.o +0 -0
  70. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/SS.cxx.o +0 -0
  71. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/SSassemblage.cxx.o +0 -0
  72. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/SScomp.cxx.o +0 -0
  73. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/SelectedOutput.cpp.o +0 -0
  74. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Serializer.cxx.o +0 -0
  75. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Solution.cxx.o +0 -0
  76. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/SolutionIsotope.cxx.o +0 -0
  77. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/StorageBin.cxx.o +0 -0
  78. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/StorageBinList.cpp.o +0 -0
  79. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Surface.cxx.o +0 -0
  80. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/SurfaceCharge.cxx.o +0 -0
  81. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/SurfaceComp.cxx.o +0 -0
  82. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/System.cxx.o +0 -0
  83. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Temperature.cxx.o +0 -0
  84. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/Use.cpp.o +0 -0
  85. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/UserPunch.cpp.o +0 -0
  86. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/advection.cpp.o +0 -0
  87. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/basicsubs.cpp.o +0 -0
  88. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/cl1.cpp.o +0 -0
  89. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/common/PHRQ_base.cxx.o +0 -0
  90. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/common/PHRQ_io.cpp.o +0 -0
  91. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/common/Parser.cxx.o +0 -0
  92. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/common/Utils.cxx.o +0 -0
  93. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/cvdense.cpp.o +0 -0
  94. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/cvode.cpp.o +0 -0
  95. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/cxxKinetics.cxx.o +0 -0
  96. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/cxxMix.cxx.o +0 -0
  97. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/dense.cpp.o +0 -0
  98. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/dumper.cpp.o +0 -0
  99. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/gases.cpp.o +0 -0
  100. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/input.cpp.o +0 -0
  101. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/integrate.cpp.o +0 -0
  102. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/inverse.cpp.o +0 -0
  103. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/isotopes.cpp.o +0 -0
  104. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/kinetics.cpp.o +0 -0
  105. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/mainsubs.cpp.o +0 -0
  106. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/model.cpp.o +0 -0
  107. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/nvector.cpp.o +0 -0
  108. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/nvector_serial.cpp.o +0 -0
  109. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/parse.cpp.o +0 -0
  110. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/phqalloc.cpp.o +0 -0
  111. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/pitzer.cpp.o +0 -0
  112. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/pitzer_structures.cpp.o +0 -0
  113. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/prep.cpp.o +0 -0
  114. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/print.cpp.o +0 -0
  115. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/read.cpp.o +0 -0
  116. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/readtr.cpp.o +0 -0
  117. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/runner.cpp.o +0 -0
  118. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/sit.cpp.o +0 -0
  119. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/smalldense.cpp.o +0 -0
  120. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/spread.cpp.o +0 -0
  121. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/step.cpp.o +0 -0
  122. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/structures.cpp.o +0 -0
  123. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/sundialsmath.cpp.o +0 -0
  124. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/tally.cpp.o +0 -0
  125. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/tidy.cpp.o +0 -0
  126. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/transport.cpp.o +0 -0
  127. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/phreeqcpp/utilities.cpp.o +0 -0
  128. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CTestTestfile.cmake +6 -0
  129. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/DartConfiguration.tcl +109 -0
  130. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/cmake_install.cmake +45 -0
  131. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/libIPhreeqc.a +0 -0
  132. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/ar-lib +270 -0
  133. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/compile +347 -0
  134. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/config.guess +1441 -0
  135. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/config.sub +1813 -0
  136. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/depcomp +791 -0
  137. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/install-sh +508 -0
  138. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/ltmain.sh +11156 -0
  139. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/missing +215 -0
  140. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/test-driver +148 -0
  141. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/configure +23867 -0
  142. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/configure.ac +136 -0
  143. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Amm.dat +1968 -0
  144. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/CMakeLists.txt +32 -0
  145. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/ColdChem.dat +267 -0
  146. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Concrete_PHR.dat +158 -0
  147. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Concrete_PZ.dat +195 -0
  148. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Kinec.v2.dat +12039 -0
  149. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Kinec_v3.dat +12159 -0
  150. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Makefile.am +28 -0
  151. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Makefile.in +530 -0
  152. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat +12965 -0
  153. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Tipping_Hurley.dat +4137 -0
  154. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/core10.dat +6824 -0
  155. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/frezchem.dat +634 -0
  156. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/iso.dat +7235 -0
  157. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/llnl.dat +19310 -0
  158. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/minteq.dat +5654 -0
  159. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/minteq.v4.dat +13212 -0
  160. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/phreeqc.dat +1972 -0
  161. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/phreeqc_rates.dat +3158 -0
  162. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/pitzer.dat +1044 -0
  163. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/sit.dat +14348 -0
  164. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/wateq4f.dat +4036 -0
  165. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/CMakeLists.txt +35 -0
  166. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/IPhreeqc.pdf +0 -0
  167. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/Makefile.am +24 -0
  168. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/Makefile.in +545 -0
  169. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/NOTICE +51 -0
  170. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/Phreeqc_2_1999_manual.pdf +0 -0
  171. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/Phreeqc_3_2013_manual.pdf +0 -0
  172. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/README +428 -0
  173. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/RELEASE +7294 -0
  174. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/IPhreeqc_8h.html +5096 -0
  175. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/IPhreeqc_8h_source.html +389 -0
  176. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/IPhreeqc_8hpp.html +83 -0
  177. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/IPhreeqc_8hpp_source.html +478 -0
  178. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/Var_8h.html +318 -0
  179. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/Var_8h_source.html +200 -0
  180. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/bc_s.png +0 -0
  181. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/bdwn.png +0 -0
  182. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/classIPhreeqc.html +2274 -0
  183. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/classIPhreeqc.png +0 -0
  184. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/classIPhreeqcStop.html +69 -0
  185. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/classIPhreeqcStop.png +0 -0
  186. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/closed.png +0 -0
  187. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/dir_68267d1309a1af8e8297ef4c3efbcdba.html +68 -0
  188. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/doxygen.css +1440 -0
  189. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/doxygen.png +0 -0
  190. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/dynsections.js +97 -0
  191. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2blank.png +0 -0
  192. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2doc.png +0 -0
  193. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2folderclosed.png +0 -0
  194. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2folderopen.png +0 -0
  195. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2lastnode.png +0 -0
  196. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2link.png +0 -0
  197. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2mlastnode.png +0 -0
  198. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2mnode.png +0 -0
  199. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2node.png +0 -0
  200. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2plastnode.png +0 -0
  201. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2pnode.png +0 -0
  202. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2splitbar.png +0 -0
  203. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/ftv2vertline.png +0 -0
  204. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/index.html +58 -0
  205. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/jquery.js +31 -0
  206. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/nav_f.png +0 -0
  207. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/nav_g.png +0 -0
  208. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/nav_h.png +0 -0
  209. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/open.png +0 -0
  210. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/structVAR.html +143 -0
  211. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/sync_off.png +0 -0
  212. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/sync_on.png +0 -0
  213. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/tab_a.png +0 -0
  214. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/tab_b.png +0 -0
  215. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/tab_h.png +0 -0
  216. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/tab_s.png +0 -0
  217. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/html/tabs.css +60 -0
  218. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/phreeqc3.chm +0 -0
  219. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/CMakeLists.txt +11 -0
  220. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/Makefile.am +88 -0
  221. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/Makefile.in +696 -0
  222. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/c/CMakeLists.txt +1 -0
  223. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/c/advect/CMakeLists.txt +35 -0
  224. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/c/advect/CMakeLists.txt.in +21 -0
  225. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/c/advect/README.txt +44 -0
  226. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/c/advect/advect.c +101 -0
  227. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/c/advect/ic +17 -0
  228. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/c/advect/phreeqc.dat +1579 -0
  229. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/CMakeLists.txt +10 -0
  230. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/README.txt +3 -0
  231. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/excel/CMakeLists.txt +9 -0
  232. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/excel/phreeqc.dat +1582 -0
  233. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/excel/runphreeqc.xls +0 -0
  234. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/excel/withcallback.xls +0 -0
  235. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/python/CMakeLists.txt +11 -0
  236. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/python/Gypsum.py +52 -0
  237. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/python/parallel_advect.py +465 -0
  238. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/python/phreeqc.dat +1582 -0
  239. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/python/pitzer.dat +790 -0
  240. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/com/python/wateq4f.dat +3846 -0
  241. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/cpp/CMakeLists.txt +1 -0
  242. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/cpp/advect/CMakeLists.txt +35 -0
  243. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/cpp/advect/CMakeLists.txt.in +20 -0
  244. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/cpp/advect/README.txt +45 -0
  245. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/cpp/advect/advect.cpp +110 -0
  246. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/cpp/advect/ic +17 -0
  247. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/cpp/advect/phreeqc.dat +1579 -0
  248. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/fortran/CMakeLists.txt +1 -0
  249. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/fortran/advect/CMakeLists.txt +44 -0
  250. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/fortran/advect/CMakeLists.txt.in +24 -0
  251. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/fortran/advect/README.txt +45 -0
  252. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/fortran/advect/advect.F90 +102 -0
  253. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/fortran/advect/ic +17 -0
  254. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/fortran/advect/phreeqc.dat +1579 -0
  255. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/using-cmake/CMakeLists.txt +26 -0
  256. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/using-cmake/CMakeLists.txt.in +20 -0
  257. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/using-cmake/README.txt +37 -0
  258. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/using-cmake/ex2 +26 -0
  259. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/using-cmake/main.cpp +20 -0
  260. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/using-cmake/phreeqc.dat +1837 -0
  261. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/examples/using-cmake/post-install.cmake.in +7 -0
  262. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/CMakeLists.txt +185 -0
  263. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/FileTest.cpp +171 -0
  264. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/FileTest.h +34 -0
  265. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/Makefile.am +18 -0
  266. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/Makefile.in +466 -0
  267. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/TestCVar.cpp +9 -0
  268. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/TestIPhreeqc.cpp +4901 -0
  269. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/TestIPhreeqcLib.cpp +4644 -0
  270. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/TestSelectedOutput.cpp +669 -0
  271. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/TestVar.cpp +10 -0
  272. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/conv_fail.in +11 -0
  273. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/dump +42 -0
  274. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/iso.dat +7231 -0
  275. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/kinn20140218 +349 -0
  276. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/missing_e.dat +1556 -0
  277. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/multi_punch +105 -0
  278. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/multi_punch_no_set +102 -0
  279. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/phreeqc.dat.90a6449 +1935 -0
  280. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/phreeqc.dat.old +1556 -0
  281. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/m4/libtool.m4 +8388 -0
  282. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/m4/ltoptions.m4 +437 -0
  283. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/m4/ltsugar.m4 +124 -0
  284. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/m4/ltversion.m4 +23 -0
  285. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/m4/lt~obsolete.m4 +99 -0
  286. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/resource.h +14 -0
  287. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/CSelectedOutput.cpp +401 -0
  288. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/CSelectedOutput.hxx +77 -0
  289. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/CVar.hxx +162 -0
  290. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/Debug.h +12 -0
  291. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/ErrorReporter.hxx +70 -0
  292. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqc.cpp +1889 -0
  293. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqc.f.inc +91 -0
  294. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqc.f90.inc +603 -0
  295. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqc.h +2182 -0
  296. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqc.hpp +1027 -0
  297. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqcCallbacks.h +19 -0
  298. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqcF.f +653 -0
  299. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqcLib.cpp +1098 -0
  300. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqc_interface.F90 +1283 -0
  301. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqc_interface_F.cpp +535 -0
  302. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/IPhreeqc_interface_F.h +162 -0
  303. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/Makefile.am +210 -0
  304. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/Makefile.in +1294 -0
  305. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/README.Fortran +17 -0
  306. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/Var.c +84 -0
  307. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/Var.h +152 -0
  308. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/Version.h +36 -0
  309. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fimpl.h +282 -0
  310. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap.cpp +646 -0
  311. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap.h +163 -0
  312. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap1.cpp +24 -0
  313. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap2.cpp +24 -0
  314. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap3.cpp +24 -0
  315. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap4.cpp +24 -0
  316. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap5.cpp +24 -0
  317. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap6.cpp +25 -0
  318. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap7.cpp +25 -0
  319. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/fwrap8.cpp +24 -0
  320. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ChartHandler.cpp +225 -0
  321. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ChartHandler.h +59 -0
  322. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ChartObject.cpp +1382 -0
  323. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ChartObject.h +444 -0
  324. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/CurveObject.cpp +42 -0
  325. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/CurveObject.h +79 -0
  326. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Dictionary.cpp +41 -0
  327. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Dictionary.h +28 -0
  328. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ExchComp.cxx +398 -0
  329. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ExchComp.h +117 -0
  330. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Exchange.cxx +466 -0
  331. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Exchange.h +74 -0
  332. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Form1.h +1184 -0
  333. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Form1.resX +36 -0
  334. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/GasComp.cxx +265 -0
  335. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/GasComp.h +59 -0
  336. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/GasPhase.cxx +659 -0
  337. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/GasPhase.h +103 -0
  338. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ISolution.cxx +40 -0
  339. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ISolution.h +53 -0
  340. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ISolutionComp.cxx +202 -0
  341. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ISolutionComp.h +138 -0
  342. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/KineticsComp.cxx +318 -0
  343. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/KineticsComp.h +81 -0
  344. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/NA.h +1 -0
  345. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/NameDouble.cxx +537 -0
  346. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/NameDouble.h +66 -0
  347. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/NumKeyword.cxx +190 -0
  348. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/NumKeyword.h +67 -0
  349. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PBasic.cpp +8350 -0
  350. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PBasic.h +572 -0
  351. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PHRQ_io_output.cpp +411 -0
  352. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PPassemblage.cxx +375 -0
  353. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PPassemblage.h +70 -0
  354. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PPassemblageComp.cxx +441 -0
  355. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PPassemblageComp.h +83 -0
  356. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Phreeqc.cpp +2087 -0
  357. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Phreeqc.h +2164 -0
  358. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PhreeqcKeywords/Keywords.cpp +242 -0
  359. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/PhreeqcKeywords/Keywords.h +104 -0
  360. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Pressure.cxx +417 -0
  361. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Pressure.h +43 -0
  362. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Reaction.cxx +284 -0
  363. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Reaction.h +57 -0
  364. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ReadClass.cxx +1150 -0
  365. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SS.cxx +609 -0
  366. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SS.h +128 -0
  367. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SSassemblage.cxx +317 -0
  368. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SSassemblage.h +59 -0
  369. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SScomp.cxx +297 -0
  370. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SScomp.h +66 -0
  371. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.cpp +115 -0
  372. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.h +209 -0
  373. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.cxx +213 -0
  374. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.h +42 -0
  375. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.cxx +1795 -0
  376. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.h +154 -0
  377. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.cxx +333 -0
  378. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.h +85 -0
  379. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.cxx +1507 -0
  380. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.h +141 -0
  381. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.cpp +358 -0
  382. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.h +81 -0
  383. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.cxx +837 -0
  384. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.h +108 -0
  385. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.cxx +617 -0
  386. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.h +137 -0
  387. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.cxx +509 -0
  388. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.h +70 -0
  389. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.cxx +103 -0
  390. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.h +89 -0
  391. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.cxx +423 -0
  392. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.h +42 -0
  393. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.cpp +78 -0
  394. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.h +159 -0
  395. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.cpp +32 -0
  396. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.h +39 -0
  397. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ZedGraph.dll +0 -0
  398. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/advection.cpp +140 -0
  399. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/basicsubs.cpp +4333 -0
  400. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cl1.cpp +881 -0
  401. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.cxx +117 -0
  402. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.h +48 -0
  403. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_exports.h +20 -0
  404. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.cpp +914 -0
  405. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.h +207 -0
  406. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.cxx +1331 -0
  407. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.h +310 -0
  408. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.cxx +263 -0
  409. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.h +29 -0
  410. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/phrqtype.h +18 -0
  411. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.cpp +566 -0
  412. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.h +267 -0
  413. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.cpp +3939 -0
  414. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.h +940 -0
  415. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.cxx +617 -0
  416. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.h +78 -0
  417. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.cxx +154 -0
  418. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.h +58 -0
  419. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.cpp +175 -0
  420. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.h +341 -0
  421. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.cpp +277 -0
  422. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.h +60 -0
  423. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/gases.cpp +748 -0
  424. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/global_structures.h +1672 -0
  425. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/input.cpp +133 -0
  426. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/integrate.cpp +1219 -0
  427. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/inverse.cpp +5135 -0
  428. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/isotopes.cpp +1813 -0
  429. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/kinetics.cpp +3180 -0
  430. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/mainsubs.cpp +2320 -0
  431. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/model.cpp +5843 -0
  432. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.cpp +272 -0
  433. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.h +485 -0
  434. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.cpp +1032 -0
  435. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.h +369 -0
  436. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/parse.cpp +1044 -0
  437. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.cpp +316 -0
  438. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.h +47 -0
  439. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer.cpp +2709 -0
  440. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer_structures.cpp +225 -0
  441. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/prep.cpp +6267 -0
  442. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/print.cpp +3673 -0
  443. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/read.cpp +10245 -0
  444. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/readtr.cpp +1495 -0
  445. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.cpp +158 -0
  446. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.h +33 -0
  447. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sit.cpp +1684 -0
  448. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.cpp +324 -0
  449. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.h +261 -0
  450. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/spread.cpp +1309 -0
  451. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/step.cpp +1566 -0
  452. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/structures.cpp +3381 -0
  453. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.cpp +133 -0
  454. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.h +162 -0
  455. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialstypes.h +183 -0
  456. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tally.cpp +1288 -0
  457. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tidy.cpp +5600 -0
  458. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/transport.cpp +6403 -0
  459. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/utilities.cpp +1339 -0
  460. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/thread.h +64 -0
  461. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/CMakeLists.txt +133 -0
  462. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.am +45 -0
  463. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.in +1128 -0
  464. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/ex2.in +26 -0
  465. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main.f90 +31 -0
  466. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main77.f +6 -0
  467. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main_fortran.cxx +8 -0
  468. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/phreeqc.dat.in +1556 -0
  469. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_c.c +148 -0
  470. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_cxx.cxx +152 -0
  471. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_f90.F90 +328 -0
  472. pyEQL/phreeqc/iphreeqc_wrapper.cpp +75 -0
  473. pyEQL/phreeqc/solution.py +74 -0
  474. pyEQL/phreeqc/var.py +50 -0
  475. pyEQL/presets/Ringers lactate.yaml +20 -0
  476. pyEQL/presets/__init__.py +17 -0
  477. pyEQL/presets/normal saline.yaml +17 -0
  478. pyEQL/presets/rainwater.yaml +17 -0
  479. pyEQL/presets/seawater.yaml +29 -0
  480. pyEQL/presets/urine.yaml +26 -0
  481. pyEQL/presets/wastewater.yaml +21 -0
  482. pyEQL/py.typed +0 -0
  483. pyEQL/salt_ion_match.py +112 -0
  484. pyEQL/solute.py +163 -0
  485. pyEQL/solution.py +2714 -0
  486. pyEQL/utils.py +237 -0
  487. pyeql-1.4.0rc9.dist-info/METADATA +130 -0
  488. pyeql-1.4.0rc9.dist-info/RECORD +491 -0
  489. pyeql-1.4.0rc9.dist-info/WHEEL +6 -0
  490. pyeql-1.4.0rc9.dist-info/licenses/AUTHORS.md +21 -0
  491. pyeql-1.4.0rc9.dist-info/licenses/LICENSE.txt +20 -0
@@ -0,0 +1,444 @@
1
+ #if !defined(CHARTOBJECT_H_INCLUDED)
2
+ #define CHARTOBJECT_H_INCLUDED
3
+ #if defined MULTICHART
4
+ #include <vector>
5
+ #include <list>
6
+ #include <string>
7
+ #include <sstream>
8
+ #include "CurveObject.h"
9
+ #include "NumKeyword.h"
10
+
11
+ #include <float.h>
12
+ class Phreeqc;
13
+
14
+ class ChartObject:public cxxNumKeyword
15
+ {
16
+
17
+ public:
18
+ ChartObject(PHRQ_io *io=NULL);
19
+ ChartObject(int i, PHRQ_io *io=NULL);
20
+ ~ChartObject();
21
+
22
+ enum chart_batch_type
23
+ { ChO_NO_BATCH = -1,
24
+ ChO_BATCH_ONLY = 0,
25
+ ChO_EMF = 1,
26
+ ChO_PNG = 2,
27
+ ChO_JPG = 3,
28
+ ChO_GIF = 4,
29
+ ChO_TIFF = 5,
30
+ ChO_BMP = 6
31
+ };
32
+
33
+ bool Get_new_ug()const
34
+ {
35
+ return this->new_ug;
36
+ }
37
+ void Set_new_ug(bool b)
38
+ {
39
+ this->new_ug = b;
40
+ }
41
+ void Set_FirstCallToUSER_GRAPH(bool b)
42
+ {
43
+ this->FirstCallToUSER_GRAPH = b;
44
+ }
45
+ bool Get_FirstCallToUSER_GRAPH()const
46
+ {
47
+ return this->FirstCallToUSER_GRAPH;
48
+ }
49
+ int Get_update_time_chart()const
50
+ {
51
+ return (this->update_time_chart);
52
+ }
53
+ int Get_PanelHeight()const
54
+ {
55
+ return (this->PanelHeight);
56
+ }
57
+ int Get_PanelWidth()const
58
+ {
59
+ return (this->PanelWidth);
60
+ }
61
+ std::string &Get_chart_title()
62
+ {
63
+ return this->chart_title;
64
+ }
65
+ const std::string &Get_chart_title()const
66
+ {
67
+ return this->chart_title;
68
+ }
69
+ std::string Get_batch_fn()
70
+ {
71
+ return this->batch_fn;
72
+ }
73
+ void Set_batch_fn(std::string fn)
74
+ {
75
+ this->batch_fn = fn;
76
+ }
77
+ std::vector<std::string> &Get_axis_titles()
78
+ {
79
+ return this->axis_titles;
80
+ }
81
+ const std::vector<std::string> &Get_axis_titles()const
82
+ {
83
+ return this->axis_titles;
84
+ }
85
+ LDBLE *Get_axis_scale_x()
86
+ {
87
+ return this->axis_scale_x;
88
+ }
89
+ const LDBLE *Get_axis_scale_x()const
90
+ {
91
+ return this->axis_scale_x;
92
+ }
93
+ LDBLE *Get_axis_scale_y()
94
+ {
95
+ return this->axis_scale_y;
96
+ }
97
+ const LDBLE *Get_axis_scale_y()const
98
+ {
99
+ return this->axis_scale_y;
100
+ }
101
+ LDBLE *Get_axis_scale_y2()
102
+ {
103
+ return this->axis_scale_y2;
104
+ }
105
+ const LDBLE *Get_axis_scale_y2()const
106
+ {
107
+ return this->axis_scale_y2;
108
+ }
109
+ int Get_chart_type()const
110
+ {
111
+ return this->chart_type;
112
+ }
113
+ bool Get_graph_initial_solutions()const
114
+ {
115
+ return this->graph_initial_solutions;
116
+ }
117
+ void Set_graph_initial_solutions(bool val)
118
+ {
119
+ this->graph_initial_solutions = val;
120
+ }
121
+ bool Get_connect_simulations()const
122
+ {
123
+ return this->connect_simulations;
124
+ }
125
+ void Set_connect_simulations(bool val)
126
+ {
127
+ this->connect_simulations = val;
128
+ }
129
+ void Set_colnr(int i)
130
+ {
131
+ this->colnr = i;
132
+ }
133
+ int Get_colnr()const
134
+ {
135
+ return (this->colnr);
136
+ }
137
+ void Set_ColumnOffset(int i)
138
+ {
139
+ this->ColumnOffset = i;
140
+ }
141
+ int Get_ColumnOffset()const
142
+ {
143
+ return (this->ColumnOffset);
144
+ }
145
+ void Set_AddSeries(bool b)
146
+ {
147
+ this->AddSeries = b;
148
+ }
149
+ bool Get_AddSeries()const
150
+ {
151
+ return this->AddSeries;
152
+ }
153
+ std::vector< std::string > Get_csv_file_names()const
154
+ {
155
+ return this->csv_file_names;
156
+ }
157
+ void Get_csv_file_names(std::vector< std::string > names)
158
+ {
159
+ this->csv_file_names = names;
160
+ }
161
+ void Set_prev_advection_step(int i)
162
+ {
163
+ this->prev_advection_step = i;
164
+ }
165
+ int Get_prev_advection_step()const
166
+ {
167
+ return (this->prev_advection_step);
168
+ }
169
+ void Set_prev_transport_step(int i)
170
+ {
171
+ this->prev_transport_step = i;
172
+ }
173
+ int Get_prev_transport_step()const
174
+ {
175
+ return (this->prev_transport_step);
176
+ }
177
+ void Set_prev_sim_no(int i)
178
+ {
179
+ this->prev_sim_no = i;
180
+ }
181
+ int Get_prev_sim_no(void)const
182
+ {
183
+ return this->prev_sim_no;
184
+ }
185
+ void Set_end_timer(bool b)
186
+ {
187
+ this->end_timer = b;
188
+ }
189
+ bool Get_end_timer()const
190
+ {
191
+ return this->end_timer;
192
+ }
193
+ void Set_done(bool b)
194
+ {
195
+ this->done = b;
196
+ }
197
+ bool Get_done()const
198
+ {
199
+ return this->done;
200
+ }
201
+ std::vector<CurveObject *> &Get_CurvesCSV()
202
+ {
203
+ return this->CurvesCSV;
204
+ }
205
+ const std::vector<CurveObject *> &Get_CurvesCSV()const
206
+ {
207
+ return this->CurvesCSV;
208
+ }
209
+ std::vector<CurveObject *> &Get_Curves()
210
+ {
211
+ return this->Curves;
212
+ }
213
+ const std::vector<CurveObject *> &Get_Curves()const
214
+ {
215
+ return this->Curves;
216
+ }
217
+ void Set_curve_added(bool tf)
218
+ {
219
+ this->curve_added = tf;
220
+ }
221
+ bool Get_curve_added()const
222
+ {
223
+ return this->curve_added;
224
+ }
225
+ void Set_point_added(bool tf)
226
+ {
227
+ this->point_added = tf;
228
+ }
229
+ bool Get_point_added()const
230
+ {
231
+ return this->point_added;
232
+ }
233
+ class rate *Get_user_graph()
234
+ {
235
+ return this->user_graph;
236
+ }
237
+ const class rate *Get_user_graph()const
238
+ {
239
+ return this->user_graph;
240
+ }
241
+ std::list<std::string> &Get_rate_command_list()
242
+ {
243
+ return this->rate_command_list;
244
+ }
245
+ const std::list<std::string> &Get_rate_command_list()const
246
+ {
247
+ return this->rate_command_list;
248
+ }
249
+ void Set_rate_new_def(bool tf);
250
+
251
+ bool Get_rate_new_def()const
252
+ {
253
+ return this->rate_new_def;
254
+ }
255
+ void Set_graph_x(LDBLE d)
256
+ {
257
+ this->graph_x = d;
258
+ }
259
+ LDBLE Get_graph_x()const
260
+ {
261
+ return this->graph_x;
262
+ }
263
+ std::map<int, LDBLE> &Get_graph_y()
264
+ {
265
+ return this->graph_y;
266
+ }
267
+ const std::map<int, LDBLE> &Get_graph_y()const
268
+ {
269
+ return this->graph_y;
270
+ }
271
+ std::map<int, bool> &Get_secondary_y()
272
+ {
273
+ return this->secondary_y;
274
+ }
275
+ const std::map<int, bool> &Get_secondary_y()const
276
+ {
277
+ return this->secondary_y;
278
+ }
279
+ std::vector<CurveObject> &Get_new_plotxy_curves()
280
+ {
281
+ return this->new_plotxy_curves;
282
+ }
283
+ const std::vector<CurveObject> &Get_new_plotxy_curves()const
284
+ {
285
+ return this->new_plotxy_curves;
286
+ }
287
+ std::vector<std::string> &Get_new_headings()
288
+ {
289
+ return this->new_headings;
290
+ }
291
+ const std::vector<std::string> &Get_new_headings()const
292
+ {
293
+ return this->new_headings;
294
+ }
295
+ void Set_active(bool tf)
296
+ {
297
+ this->active = tf;
298
+ }
299
+ bool Get_active()const
300
+ {
301
+ return this->active;
302
+ }
303
+ void Set_detach(bool tf)
304
+ {
305
+ this->detach = tf;
306
+ }
307
+ bool Get_detach()const
308
+ {
309
+ return this->detach;
310
+ }
311
+ bool Get_form_started()const
312
+ {
313
+ return this->form_started;
314
+ }
315
+ void Set_phreeqc(Phreeqc * ptr)
316
+ {
317
+ this->phreeqc_ptr = ptr;
318
+ }
319
+ Phreeqc * Get_phreeqc()
320
+ {
321
+ return this->phreeqc_ptr;
322
+ }
323
+ const Phreeqc * Get_phreeqc()const
324
+ {
325
+ return this->phreeqc_ptr;
326
+ }
327
+ const std::list<std::string>& Get_rate_command_list_original()const
328
+ {
329
+ return this->rate_command_list_original;
330
+ }
331
+ bool Set_axis_scale(std::vector<std::string>, std::vector<int> types, std::ostringstream &);
332
+ bool Set_axis_scale(CParser & parser);
333
+ bool Read(CParser & parser);
334
+ bool OpenCSVFile(std::string fn);
335
+ static CurveObject ExtractCurveInfo(std::string & str_line);
336
+ void Set_rate_struct(void);
337
+ void PlotXY(std::string x, std::string y);
338
+ bool start_chart(void);
339
+ ZedGraph::SymbolType Return_SymbolType(std::string);
340
+ void SaveCurvesToFile(std::string &);
341
+ void Rate_free(void);
342
+ void Initialize_graph_pts(void);
343
+ void Finalize_graph_pts(void);
344
+ void Get_legal_symbol(std::string &sym);
345
+ void Get_legal_symbol_csv(std::string &sym);
346
+ void Get_color_string(std::string &color);
347
+ void Get_color_string_csv(std::string &color);
348
+ void Add_new_series(void);
349
+ void Add_curve(bool plotxy, std::string id = "",
350
+ LDBLE line_width = 1.0,
351
+ std::string symbol = "",
352
+ LDBLE symbol_size = 6.0,
353
+ int y_axis = 1,
354
+ std::string color = "");
355
+ void dump(std::ostream & s_oss, unsigned int indent);
356
+
357
+ chart_batch_type Get_batch(void) {return this->batch;}
358
+ void Set_batch(chart_batch_type bt) {this->batch = bt;}
359
+ bool Get_batch_background(void) {return this->batch_background;}
360
+ void Set_batch_background(bool tf) {this->batch_background = tf;}
361
+
362
+ bool Get_batch_grid(void) {return this->batch_grid;}
363
+ void Set_batch_grid(bool tf) {this->batch_grid = tf;}
364
+ protected:
365
+
366
+ bool new_ug;
367
+ bool FirstCallToUSER_GRAPH;
368
+
369
+ int update_time_chart; /* milliseconds, maybe read */
370
+ int PanelHeight;
371
+ int PanelWidth;
372
+ std::map<std::string, int> Symbol_map;
373
+ std::vector<std::string> Color_vector;
374
+ std::string chart_title;
375
+ std::vector<std::string> axis_titles;
376
+ LDBLE axis_scale_x[5];
377
+ LDBLE axis_scale_y[5];
378
+ LDBLE axis_scale_y2[5];
379
+
380
+ int chart_type;
381
+ bool graph_initial_solutions;
382
+ bool connect_simulations;
383
+ int shifts_as_points;
384
+ int colnr;
385
+ int ColumnOffset;
386
+ bool AddSeries;
387
+
388
+ int prev_advection_step;
389
+ int prev_transport_step;
390
+
391
+ int prev_sim_no;
392
+
393
+ bool end_timer;
394
+ bool done;
395
+
396
+ std::vector<std::string> csv_file_names;
397
+ std::vector<CurveObject *> CurvesCSV;
398
+ std::vector<CurveObject *> Curves;
399
+ bool curve_added;
400
+ bool point_added;
401
+
402
+ class rate *user_graph;
403
+ // C++ for rate class
404
+ std::string rate_name;
405
+ std::list<std::string> rate_command_list;
406
+ std::list<std::string> rate_command_list_original;
407
+ bool rate_new_def;
408
+
409
+ int default_symbol;
410
+ int default_symbol_csv;
411
+ int default_color;
412
+ int default_color_csv;
413
+
414
+ // temporary storage before stored graph_x/y/sy data are stored in curves
415
+ // Initialize_graph_pts and Finalize_graph_pts use this storage.
416
+ LDBLE graph_x;
417
+ std::map<int, LDBLE> graph_y;
418
+ std::map<int, bool> secondary_y;
419
+
420
+ // temporary plotxy curve definitions before stored in curves
421
+ // a plotxy curve is copied to Curves when cmdplotxy is encountered
422
+ // this keeps order correct between plotxy and graph_x/y/sy
423
+ std::vector<CurveObject> new_plotxy_curves;
424
+
425
+ // temporary headings until stored during basic_run
426
+ std::vector<std::string> new_headings;
427
+ std::vector<std::string> headings_original;
428
+ bool active;
429
+ bool detach;
430
+ bool form_started;
431
+ class Phreeqc * phreeqc_ptr;
432
+
433
+ bool batch_background;
434
+ bool batch_grid;
435
+ std::string batch_fn;
436
+ chart_batch_type batch;
437
+ const static std::vector < std::string > vopts;
438
+
439
+ public:
440
+ int usingResource;
441
+
442
+ };
443
+ #endif // MULTICHART
444
+ #endif // !defined(CHARTOBJECT_H_INCLUDED)
@@ -0,0 +1,42 @@
1
+ // CurveObject.cpp: implementation of the CurveObject class.
2
+ //
3
+ //////////////////////////////////////////////////////////////////////
4
+ #ifdef MULTICHART
5
+ #ifdef _DEBUG
6
+ #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger)
7
+ #endif
8
+ #include "CurveObject.h"
9
+
10
+ #if defined(PHREEQCI_GUI)
11
+ #ifdef _DEBUG
12
+ #define new DEBUG_NEW
13
+ #undef THIS_FILE
14
+ static char THIS_FILE[] = __FILE__;
15
+ #endif
16
+ #endif
17
+
18
+ //////////////////////////////////////////////////////////////////////
19
+ // Construction/Destruction
20
+ //////////////////////////////////////////////////////////////////////
21
+
22
+ CurveObject::CurveObject()
23
+ //
24
+ // default constructor for cxxExchComp
25
+ //
26
+ {
27
+ x.clear();
28
+ y.clear();
29
+ this->id = "";
30
+ this->symbol = "";
31
+ this->color = "";
32
+ this->y_axis = 1;
33
+ this->line_w = 1.0;
34
+ this->symbol_size = 6.0;
35
+ }
36
+
37
+
38
+ CurveObject::~CurveObject()
39
+ {
40
+ }
41
+
42
+ #endif // MULTICHART
@@ -0,0 +1,79 @@
1
+ #if !defined(CURVEOBJECT_H_INCLUDED)
2
+ #define CURVEOBJECT_H_INCLUDED
3
+ #include <vector>
4
+ #include <string>
5
+ #include "phrqtype.h"
6
+ class CurveObject
7
+ {
8
+
9
+ public:
10
+ CurveObject();
11
+ ~CurveObject();
12
+ void Set_id(std::string s)
13
+ {
14
+ this->id = s;
15
+ }
16
+ std::string &Get_id(void)
17
+ {
18
+ return this->id;
19
+ }
20
+ void Set_color(std::string s)
21
+ {
22
+ this->color = s;
23
+ }
24
+ std::string &Get_color(void)
25
+ {
26
+ return this->color;
27
+ }
28
+ void Set_symbol(std::string s)
29
+ {
30
+ this->symbol = s;
31
+ }
32
+ std::string &Get_symbol(void)
33
+ {
34
+ return this->symbol;
35
+ }
36
+ void Set_symbol_size(LDBLE f)
37
+ {
38
+ this->symbol_size = f;
39
+ }
40
+ LDBLE Get_symbol_size(void)
41
+ {
42
+ return this->symbol_size;
43
+ }
44
+ void Set_line_w(LDBLE f)
45
+ {
46
+ this->line_w = f;
47
+ }
48
+ LDBLE Get_line_w(void)
49
+ {
50
+ return this->line_w;
51
+ }
52
+ void Set_y_axis(int f)
53
+ {
54
+ this->y_axis = f;
55
+ }
56
+ std::vector<LDBLE> & Get_x()
57
+ {
58
+ return this->x;
59
+ }
60
+ std::vector<LDBLE> & Get_y()
61
+ {
62
+ return this->y;
63
+ }
64
+ int Get_y_axis()
65
+ {
66
+ return this->y_axis;
67
+ }
68
+
69
+ protected:
70
+ std::vector<LDBLE> x, y;
71
+ std::string id, color, symbol;
72
+ int y_axis;
73
+ LDBLE line_w, symbol_size;
74
+
75
+ public:
76
+
77
+ };
78
+
79
+ #endif // !defined(CURVEOBJECT_H_INCLUDED)
@@ -0,0 +1,41 @@
1
+ #include "Dictionary.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
+ Dictionary::Dictionary(void)
12
+ {
13
+ }
14
+
15
+ Dictionary::Dictionary(std::string & words_string)
16
+ {
17
+ std::istringstream words_stream(words_string);
18
+ char str[256];
19
+ while (words_stream.getline(str,256))
20
+ {
21
+ this->Find(str);
22
+ }
23
+ }
24
+ Dictionary::~Dictionary(void)
25
+ {
26
+ }
27
+
28
+ int
29
+ Dictionary::Find(std::string str)
30
+ {
31
+ std::map<std::string, int>::iterator it = this->dictionary_map.find(str);
32
+ if (it != this->dictionary_map.end())
33
+ {
34
+ return it->second;
35
+ }
36
+ int i = this->MapSize();
37
+ this->dictionary_map[str] = i;
38
+ this->words.push_back(str);
39
+ this->dictionary_oss << str << "\n";
40
+ return i;
41
+ }
@@ -0,0 +1,28 @@
1
+ #if !defined(DICTIONARY_H_INCLUDED)
2
+ #define DICTIONARY_H_INCLUDED
3
+ #include <iostream>
4
+ #include <map>
5
+ #include <vector>
6
+ #include <sstream>
7
+ class Phreeqc;
8
+ class Dictionary
9
+ {
10
+ public:
11
+ Dictionary(void);
12
+ Dictionary(std::string & words_string);
13
+ ~Dictionary(void);
14
+ int Find(std::string str);
15
+ int MapSize() {return (int) this->dictionary_map.size();}
16
+ int OssSize() {return (int) this->dictionary_oss.str().size();}
17
+ std::ostringstream &GetDictionaryOss() {return this->dictionary_oss;}
18
+ std::vector<std::string> &GetWords() {return this->words;}
19
+
20
+ protected:
21
+ std::map<std::string, int> dictionary_map;
22
+ std::vector<std::string> words;
23
+ std::ostringstream dictionary_oss;
24
+
25
+ };
26
+
27
+ #endif // !defined(DICTIONARY_H_INCLUDED)
28
+