pyEQL 1.4.0rc9__cp310-cp310-win_amd64.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- pyEQL/__init__.py +50 -0
- pyEQL/_phreeqc.cp310-win_amd64.pyd +0 -0
- pyEQL/activity_correction.py +879 -0
- pyEQL/database/geothermal.dat +5693 -0
- pyEQL/database/llnl.dat +19305 -0
- pyEQL/database/phreeqc_license.txt +54 -0
- pyEQL/database/pyeql_db.json +35607 -0
- pyEQL/engines.py +1153 -0
- pyEQL/equilibrium.py +227 -0
- pyEQL/functions.py +281 -0
- pyEQL/phreeqc/__init__.py +5 -0
- pyEQL/phreeqc/bindings.cpp +84 -0
- pyEQL/phreeqc/core.py +239 -0
- pyEQL/phreeqc/database/Amm.dat +1968 -0
- pyEQL/phreeqc/database/CMakeLists.txt +32 -0
- pyEQL/phreeqc/database/ColdChem.dat +267 -0
- pyEQL/phreeqc/database/Concrete_PHR.dat +158 -0
- pyEQL/phreeqc/database/Concrete_PZ.dat +195 -0
- pyEQL/phreeqc/database/Kinec.v2.dat +12039 -0
- pyEQL/phreeqc/database/Kinec_v3.dat +12159 -0
- pyEQL/phreeqc/database/Makefile.am +28 -0
- pyEQL/phreeqc/database/Makefile.in +530 -0
- pyEQL/phreeqc/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat +12965 -0
- pyEQL/phreeqc/database/Tipping_Hurley.dat +4137 -0
- pyEQL/phreeqc/database/__init__.py +0 -0
- pyEQL/phreeqc/database/core10.dat +6824 -0
- pyEQL/phreeqc/database/frezchem.dat +634 -0
- pyEQL/phreeqc/database/iso.dat +7235 -0
- pyEQL/phreeqc/database/llnl.dat +19310 -0
- pyEQL/phreeqc/database/minteq.dat +5654 -0
- pyEQL/phreeqc/database/minteq.v4.dat +13212 -0
- pyEQL/phreeqc/database/phreeqc.dat +1972 -0
- pyEQL/phreeqc/database/phreeqc_rates.dat +3158 -0
- pyEQL/phreeqc/database/pitzer.dat +1044 -0
- pyEQL/phreeqc/database/sit.dat +14348 -0
- pyEQL/phreeqc/database/wateq4f.dat +4036 -0
- pyEQL/phreeqc/ext/README.md +10 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/CMakeLists.txt +476 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/INSTALL +302 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/IPhreeqc.rc +61 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/IPhreeqcConfig.cmake.in +4 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.am +8 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.in +816 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/aclocal.m4 +1217 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/ALL_BUILD.vcxproj +185 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/ALL_BUILD.vcxproj.filters +8 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/generate.stamp +1 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/generate.stamp.depend +79 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CTestTestfile.cmake +6 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Continuous.vcxproj +240 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Continuous.vcxproj.filters +17 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/DartConfiguration.tcl +109 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Experimental.vcxproj +240 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Experimental.vcxproj.filters +17 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/INSTALL.vcxproj +209 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/INSTALL.vcxproj.filters +13 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/CSelectedOutput.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Dictionary.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ExchComp.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Exchange.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/GasComp.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/GasPhase.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.lib.recipe +11 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.command.1.tlog +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.read.1.tlog +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.write.1.tlog +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Cl.items.tlog +82 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.command.1.tlog +10 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.read.1.tlog +78 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.write.1.tlog +2 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/IPhreeqc.lastbuildstate +2 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib-link.read.1.tlog +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib-link.write.1.tlog +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib.command.1.tlog +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqcLib.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc_interface_F.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ISolution.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ISolutionComp.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Keywords.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/KineticsComp.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/NameDouble.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/NumKeyword.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PBasic.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_base.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_io.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_io_output.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PPassemblage.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PPassemblageComp.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Parser.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Phreeqc.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Pressure.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Reaction.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ReadClass.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SS.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SSassemblage.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SScomp.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SelectedOutput.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Serializer.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Solution.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SolutionIsotope.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/StorageBin.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/StorageBinList.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Surface.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SurfaceCharge.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SurfaceComp.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/System.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Temperature.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Use.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/UserPunch.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Utils.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Var.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/advection.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/basicsubs.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cl1.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cvdense.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cvode.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cxxKinetics.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cxxMix.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/dense.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/dumper.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/gases.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/input.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/integrate.obj +0 -0
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- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/isotopes.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/kinetics.obj +0 -0
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- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/model.obj +0 -0
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- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/pitzer.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/pitzer_structures.obj +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/prep.obj +0 -0
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- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/ar-lib +270 -0
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- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.h +141 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.cpp +358 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.h +81 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.cxx +837 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.h +108 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.cxx +617 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.h +137 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.cxx +509 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.h +70 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.cxx +103 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.h +89 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.cxx +423 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.h +42 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.cpp +78 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.h +159 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.cpp +32 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.h +39 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ZedGraph.dll +0 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/advection.cpp +140 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/basicsubs.cpp +4333 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cl1.cpp +881 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.cxx +117 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.h +48 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_exports.h +20 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.cpp +914 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.h +207 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.cxx +1331 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.h +310 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.cxx +263 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.h +29 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/phrqtype.h +18 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.cpp +566 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.h +267 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.cpp +3939 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.h +940 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.cxx +617 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.h +78 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.cxx +154 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.h +58 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.cpp +175 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.h +341 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.cpp +277 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.h +60 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/gases.cpp +748 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/global_structures.h +1672 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/input.cpp +133 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/integrate.cpp +1219 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/inverse.cpp +5135 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/isotopes.cpp +1813 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/kinetics.cpp +3180 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/mainsubs.cpp +2320 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/model.cpp +5843 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.cpp +272 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.h +485 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.cpp +1032 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.h +369 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/parse.cpp +1044 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.cpp +316 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.h +47 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer.cpp +2709 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer_structures.cpp +225 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/prep.cpp +6267 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/print.cpp +3673 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/read.cpp +10245 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/readtr.cpp +1495 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.cpp +158 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.h +33 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sit.cpp +1684 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.cpp +324 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.h +261 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/spread.cpp +1309 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/step.cpp +1566 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/structures.cpp +3381 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.cpp +133 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.h +162 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialstypes.h +183 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tally.cpp +1288 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tidy.cpp +5600 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/transport.cpp +6403 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/utilities.cpp +1339 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/thread.h +64 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/CMakeLists.txt +133 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.am +45 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.in +1128 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/ex2.in +26 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main.f90 +31 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main77.f +6 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main_fortran.cxx +8 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/phreeqc.dat.in +1556 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_c.c +148 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_cxx.cxx +152 -0
- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_f90.F90 +328 -0
- pyEQL/phreeqc/iphreeqc_wrapper.cpp +75 -0
- pyEQL/phreeqc/solution.py +74 -0
- pyEQL/phreeqc/var.py +50 -0
- pyEQL/presets/Ringers lactate.yaml +20 -0
- pyEQL/presets/__init__.py +17 -0
- pyEQL/presets/normal saline.yaml +17 -0
- pyEQL/presets/rainwater.yaml +17 -0
- pyEQL/presets/seawater.yaml +29 -0
- pyEQL/presets/urine.yaml +26 -0
- pyEQL/presets/wastewater.yaml +21 -0
- pyEQL/py.typed +0 -0
- pyEQL/salt_ion_match.py +112 -0
- pyEQL/solute.py +163 -0
- pyEQL/solution.py +2714 -0
- pyEQL/utils.py +237 -0
- pyeql-1.4.0rc9.dist-info/METADATA +130 -0
- pyeql-1.4.0rc9.dist-info/RECORD +519 -0
- pyeql-1.4.0rc9.dist-info/WHEEL +5 -0
- pyeql-1.4.0rc9.dist-info/licenses/AUTHORS.md +21 -0
- pyeql-1.4.0rc9.dist-info/licenses/LICENSE.txt +20 -0
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#include <cassert>
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#include <iostream>
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#include <map>
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#include "IPhreeqc.h"
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#include "IPhreeqc.hpp"
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#include "thread.h"
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class IPhreeqcLib
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{
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public:
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//static void CleanupIPhreeqcInstances(void);
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static int CreateIPhreeqc(void);
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static IPQ_RESULT DestroyIPhreeqc(int n);
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static IPhreeqc* GetInstance(int n);
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};
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IPQ_RESULT
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AccumulateLine(int id, const char *line)
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{
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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switch (IPhreeqcPtr->AccumulateLine(line))
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{
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case VR_OK:
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return IPQ_OK;
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case VR_OUTOFMEMORY:
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return IPQ_OUTOFMEMORY;
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default:
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assert(false);
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}
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}
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return IPQ_BADINSTANCE;
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}
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int
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AddError(int id, const char* error_msg)
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{
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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return (int)IPhreeqcPtr->AddError(error_msg);
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}
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return IPQ_BADINSTANCE;
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}
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int
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AddWarning(int id, const char* warn_msg)
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{
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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return (int)IPhreeqcPtr->AddWarning(warn_msg);
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}
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return IPQ_BADINSTANCE;
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}
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IPQ_RESULT
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ClearAccumulatedLines(int id)
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{
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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IPhreeqcPtr->ClearAccumulatedLines();
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return IPQ_OK;
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}
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return IPQ_BADINSTANCE;
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}
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int
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CreateIPhreeqc(void)
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{
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return IPhreeqcLib::CreateIPhreeqc();
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}
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IPQ_RESULT
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DestroyIPhreeqc(int id)
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{
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return IPhreeqcLib::DestroyIPhreeqc(id);
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}
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// TODO Maybe GetAccumulatedLines
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const char*
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GetComponent(int id, int n)
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{
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88
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static const char err_msg[] = "GetComponent: Invalid instance id.\n";
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|
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90
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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93
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return IPhreeqcPtr->GetComponent(n);
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}
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return err_msg;
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}
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|
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98
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int
|
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99
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GetComponentCount(int id)
|
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100
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{
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101
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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104
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return (int)IPhreeqcPtr->GetComponentCount();
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}
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return IPQ_BADINSTANCE;
|
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}
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108
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|
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109
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int
|
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110
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GetCurrentSelectedOutputUserNumber(int id)
|
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111
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{
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112
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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115
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int n = IPhreeqcPtr->GetCurrentSelectedOutputUserNumber();
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switch (n)
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117
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{
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case VR_INVALIDARG:
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return IPQ_INVALIDARG;
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}
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return n;
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}
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return IPQ_BADINSTANCE;
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}
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126
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const char*
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127
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GetDumpFileName(int id)
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128
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{
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129
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static const char empty[] = "";
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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133
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return IPhreeqcPtr->GetDumpFileName();
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}
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return empty;
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}
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137
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|
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138
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int
|
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139
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GetDumpFileOn(int id)
|
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140
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{
|
|
141
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
142
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+
if (IPhreeqcPtr)
|
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143
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+
{
|
|
144
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+
if (IPhreeqcPtr->GetDumpFileOn())
|
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145
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{
|
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146
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return 1;
|
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147
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+
}
|
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148
|
+
else
|
|
149
|
+
{
|
|
150
|
+
return 0;
|
|
151
|
+
}
|
|
152
|
+
}
|
|
153
|
+
return IPQ_BADINSTANCE;
|
|
154
|
+
}
|
|
155
|
+
|
|
156
|
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const char*
|
|
157
|
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GetDumpString(int id)
|
|
158
|
+
{
|
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159
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static const char empty[] = "";
|
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160
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
161
|
+
if (IPhreeqcPtr)
|
|
162
|
+
{
|
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163
|
+
return IPhreeqcPtr->GetDumpString();
|
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164
|
+
}
|
|
165
|
+
return empty;
|
|
166
|
+
}
|
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167
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|
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168
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const char*
|
|
169
|
+
GetDumpStringLine(int id, int n)
|
|
170
|
+
{
|
|
171
|
+
static const char err_msg[] = "GetDumpStringLine: Invalid instance id.\n";
|
|
172
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
173
|
+
if (IPhreeqcPtr)
|
|
174
|
+
{
|
|
175
|
+
return IPhreeqcPtr->GetDumpStringLine(n);
|
|
176
|
+
}
|
|
177
|
+
return err_msg;
|
|
178
|
+
}
|
|
179
|
+
|
|
180
|
+
int
|
|
181
|
+
GetDumpStringLineCount(int id)
|
|
182
|
+
{
|
|
183
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
184
|
+
if (IPhreeqcPtr)
|
|
185
|
+
{
|
|
186
|
+
return IPhreeqcPtr->GetDumpStringLineCount();
|
|
187
|
+
}
|
|
188
|
+
return 0;
|
|
189
|
+
}
|
|
190
|
+
|
|
191
|
+
int
|
|
192
|
+
GetDumpStringOn(int id)
|
|
193
|
+
{
|
|
194
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
195
|
+
if (IPhreeqcPtr)
|
|
196
|
+
{
|
|
197
|
+
if (IPhreeqcPtr->GetDumpStringOn())
|
|
198
|
+
{
|
|
199
|
+
return 1;
|
|
200
|
+
}
|
|
201
|
+
else
|
|
202
|
+
{
|
|
203
|
+
return 0;
|
|
204
|
+
}
|
|
205
|
+
}
|
|
206
|
+
return IPQ_BADINSTANCE;
|
|
207
|
+
}
|
|
208
|
+
|
|
209
|
+
const char*
|
|
210
|
+
GetErrorFileName(int id)
|
|
211
|
+
{
|
|
212
|
+
static const char empty[] = "";
|
|
213
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
214
|
+
if (IPhreeqcPtr)
|
|
215
|
+
{
|
|
216
|
+
return IPhreeqcPtr->GetErrorFileName();
|
|
217
|
+
}
|
|
218
|
+
return empty;
|
|
219
|
+
}
|
|
220
|
+
|
|
221
|
+
int
|
|
222
|
+
GetErrorFileOn(int id)
|
|
223
|
+
{
|
|
224
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
225
|
+
if (IPhreeqcPtr)
|
|
226
|
+
{
|
|
227
|
+
if (IPhreeqcPtr->GetErrorFileOn())
|
|
228
|
+
{
|
|
229
|
+
return 1;
|
|
230
|
+
}
|
|
231
|
+
else
|
|
232
|
+
{
|
|
233
|
+
return 0;
|
|
234
|
+
}
|
|
235
|
+
}
|
|
236
|
+
return IPQ_BADINSTANCE;
|
|
237
|
+
}
|
|
238
|
+
|
|
239
|
+
int
|
|
240
|
+
GetErrorOn(int id)
|
|
241
|
+
{
|
|
242
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
243
|
+
if (IPhreeqcPtr)
|
|
244
|
+
{
|
|
245
|
+
if (IPhreeqcPtr->GetErrorOn())
|
|
246
|
+
{
|
|
247
|
+
return 1;
|
|
248
|
+
}
|
|
249
|
+
else
|
|
250
|
+
{
|
|
251
|
+
return 0;
|
|
252
|
+
}
|
|
253
|
+
}
|
|
254
|
+
return IPQ_BADINSTANCE;
|
|
255
|
+
}
|
|
256
|
+
|
|
257
|
+
const char*
|
|
258
|
+
GetErrorString(int id)
|
|
259
|
+
{
|
|
260
|
+
static const char err_msg[] = "GetErrorString: Invalid instance id.\n";
|
|
261
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
262
|
+
if (IPhreeqcPtr)
|
|
263
|
+
{
|
|
264
|
+
return IPhreeqcPtr->GetErrorString();
|
|
265
|
+
}
|
|
266
|
+
return err_msg;
|
|
267
|
+
}
|
|
268
|
+
|
|
269
|
+
const char*
|
|
270
|
+
GetErrorStringLine(int id, int n)
|
|
271
|
+
{
|
|
272
|
+
static const char err_msg[] = "GetErrorStringLine: Invalid instance id.\n";
|
|
273
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
274
|
+
if (IPhreeqcPtr)
|
|
275
|
+
{
|
|
276
|
+
return IPhreeqcPtr->GetErrorStringLine(n);
|
|
277
|
+
}
|
|
278
|
+
return err_msg;
|
|
279
|
+
}
|
|
280
|
+
|
|
281
|
+
int
|
|
282
|
+
GetErrorStringLineCount(int id)
|
|
283
|
+
{
|
|
284
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
285
|
+
if (IPhreeqcPtr)
|
|
286
|
+
{
|
|
287
|
+
return (int)IPhreeqcPtr->GetErrorStringLineCount();
|
|
288
|
+
}
|
|
289
|
+
return IPQ_BADINSTANCE;
|
|
290
|
+
}
|
|
291
|
+
|
|
292
|
+
int
|
|
293
|
+
GetErrorStringOn(int id)
|
|
294
|
+
{
|
|
295
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
296
|
+
if (IPhreeqcPtr)
|
|
297
|
+
{
|
|
298
|
+
if (IPhreeqcPtr->GetErrorStringOn())
|
|
299
|
+
{
|
|
300
|
+
return 1;
|
|
301
|
+
}
|
|
302
|
+
else
|
|
303
|
+
{
|
|
304
|
+
return 0;
|
|
305
|
+
}
|
|
306
|
+
}
|
|
307
|
+
return IPQ_BADINSTANCE;
|
|
308
|
+
}
|
|
309
|
+
|
|
310
|
+
const char*
|
|
311
|
+
GetLogFileName(int id)
|
|
312
|
+
{
|
|
313
|
+
static const char empty[] = "";
|
|
314
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
315
|
+
if (IPhreeqcPtr)
|
|
316
|
+
{
|
|
317
|
+
return IPhreeqcPtr->GetLogFileName();
|
|
318
|
+
}
|
|
319
|
+
return empty;
|
|
320
|
+
}
|
|
321
|
+
|
|
322
|
+
int
|
|
323
|
+
GetLogFileOn(int id)
|
|
324
|
+
{
|
|
325
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
326
|
+
if (IPhreeqcPtr)
|
|
327
|
+
{
|
|
328
|
+
if (IPhreeqcPtr->GetLogFileOn())
|
|
329
|
+
{
|
|
330
|
+
return 1;
|
|
331
|
+
}
|
|
332
|
+
else
|
|
333
|
+
{
|
|
334
|
+
return 0;
|
|
335
|
+
}
|
|
336
|
+
}
|
|
337
|
+
return IPQ_BADINSTANCE;
|
|
338
|
+
}
|
|
339
|
+
|
|
340
|
+
const char*
|
|
341
|
+
GetLogString(int id)
|
|
342
|
+
{
|
|
343
|
+
static const char empty[] = "";
|
|
344
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
345
|
+
if (IPhreeqcPtr)
|
|
346
|
+
{
|
|
347
|
+
return IPhreeqcPtr->GetLogString();
|
|
348
|
+
}
|
|
349
|
+
return empty;
|
|
350
|
+
}
|
|
351
|
+
|
|
352
|
+
const char*
|
|
353
|
+
GetLogStringLine(int id, int n)
|
|
354
|
+
{
|
|
355
|
+
static const char err_msg[] = "GetLogStringLine: Invalid instance id.\n";
|
|
356
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
357
|
+
if (IPhreeqcPtr)
|
|
358
|
+
{
|
|
359
|
+
return IPhreeqcPtr->GetLogStringLine(n);
|
|
360
|
+
}
|
|
361
|
+
return err_msg;
|
|
362
|
+
}
|
|
363
|
+
|
|
364
|
+
int
|
|
365
|
+
GetLogStringLineCount(int id)
|
|
366
|
+
{
|
|
367
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
368
|
+
if (IPhreeqcPtr)
|
|
369
|
+
{
|
|
370
|
+
return IPhreeqcPtr->GetLogStringLineCount();
|
|
371
|
+
}
|
|
372
|
+
return 0;
|
|
373
|
+
}
|
|
374
|
+
|
|
375
|
+
int
|
|
376
|
+
GetLogStringOn(int id)
|
|
377
|
+
{
|
|
378
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
379
|
+
if (IPhreeqcPtr)
|
|
380
|
+
{
|
|
381
|
+
if (IPhreeqcPtr->GetLogStringOn())
|
|
382
|
+
{
|
|
383
|
+
return 1;
|
|
384
|
+
}
|
|
385
|
+
else
|
|
386
|
+
{
|
|
387
|
+
return 0;
|
|
388
|
+
}
|
|
389
|
+
}
|
|
390
|
+
return IPQ_BADINSTANCE;
|
|
391
|
+
}
|
|
392
|
+
|
|
393
|
+
int
|
|
394
|
+
GetNthSelectedOutputUserNumber(int id, int n)
|
|
395
|
+
{
|
|
396
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
397
|
+
if (IPhreeqcPtr)
|
|
398
|
+
{
|
|
399
|
+
int nth = IPhreeqcPtr->GetNthSelectedOutputUserNumber(n);
|
|
400
|
+
switch (nth)
|
|
401
|
+
{
|
|
402
|
+
case VR_INVALIDARG: return IPQ_INVALIDARG;
|
|
403
|
+
}
|
|
404
|
+
return nth;
|
|
405
|
+
}
|
|
406
|
+
return IPQ_BADINSTANCE;
|
|
407
|
+
}
|
|
408
|
+
|
|
409
|
+
const char*
|
|
410
|
+
GetOutputFileName(int id)
|
|
411
|
+
{
|
|
412
|
+
static const char empty[] = "";
|
|
413
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
414
|
+
if (IPhreeqcPtr)
|
|
415
|
+
{
|
|
416
|
+
return IPhreeqcPtr->GetOutputFileName();
|
|
417
|
+
}
|
|
418
|
+
return empty;
|
|
419
|
+
}
|
|
420
|
+
|
|
421
|
+
int
|
|
422
|
+
GetOutputFileOn(int id)
|
|
423
|
+
{
|
|
424
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
425
|
+
if (IPhreeqcPtr)
|
|
426
|
+
{
|
|
427
|
+
if (IPhreeqcPtr->GetOutputFileOn())
|
|
428
|
+
{
|
|
429
|
+
return 1;
|
|
430
|
+
}
|
|
431
|
+
else
|
|
432
|
+
{
|
|
433
|
+
return 0;
|
|
434
|
+
}
|
|
435
|
+
}
|
|
436
|
+
return IPQ_BADINSTANCE;
|
|
437
|
+
}
|
|
438
|
+
|
|
439
|
+
const char*
|
|
440
|
+
GetOutputString(int id)
|
|
441
|
+
{
|
|
442
|
+
static const char empty[] = "";
|
|
443
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
444
|
+
if (IPhreeqcPtr)
|
|
445
|
+
{
|
|
446
|
+
return IPhreeqcPtr->GetOutputString();
|
|
447
|
+
}
|
|
448
|
+
return empty;
|
|
449
|
+
}
|
|
450
|
+
|
|
451
|
+
const char*
|
|
452
|
+
GetOutputStringLine(int id, int n)
|
|
453
|
+
{
|
|
454
|
+
static const char err_msg[] = "GetOutputStringLine: Invalid instance id.\n";
|
|
455
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
456
|
+
if (IPhreeqcPtr)
|
|
457
|
+
{
|
|
458
|
+
return IPhreeqcPtr->GetOutputStringLine(n);
|
|
459
|
+
}
|
|
460
|
+
return err_msg;
|
|
461
|
+
}
|
|
462
|
+
|
|
463
|
+
int
|
|
464
|
+
GetOutputStringLineCount(int id)
|
|
465
|
+
{
|
|
466
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
467
|
+
if (IPhreeqcPtr)
|
|
468
|
+
{
|
|
469
|
+
return IPhreeqcPtr->GetOutputStringLineCount();
|
|
470
|
+
}
|
|
471
|
+
return 0;
|
|
472
|
+
}
|
|
473
|
+
|
|
474
|
+
int
|
|
475
|
+
GetOutputStringOn(int id)
|
|
476
|
+
{
|
|
477
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
478
|
+
if (IPhreeqcPtr)
|
|
479
|
+
{
|
|
480
|
+
if (IPhreeqcPtr->GetOutputStringOn())
|
|
481
|
+
{
|
|
482
|
+
return 1;
|
|
483
|
+
}
|
|
484
|
+
else
|
|
485
|
+
{
|
|
486
|
+
return 0;
|
|
487
|
+
}
|
|
488
|
+
}
|
|
489
|
+
return IPQ_BADINSTANCE;
|
|
490
|
+
}
|
|
491
|
+
|
|
492
|
+
int
|
|
493
|
+
GetSelectedOutputColumnCount(int id)
|
|
494
|
+
{
|
|
495
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
496
|
+
if (IPhreeqcPtr)
|
|
497
|
+
{
|
|
498
|
+
return IPhreeqcPtr->GetSelectedOutputColumnCount();
|
|
499
|
+
}
|
|
500
|
+
return IPQ_BADINSTANCE;
|
|
501
|
+
}
|
|
502
|
+
|
|
503
|
+
int
|
|
504
|
+
GetSelectedOutputCount(int id)
|
|
505
|
+
{
|
|
506
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
507
|
+
if (IPhreeqcPtr)
|
|
508
|
+
{
|
|
509
|
+
return IPhreeqcPtr->GetSelectedOutputCount();
|
|
510
|
+
}
|
|
511
|
+
return IPQ_BADINSTANCE;
|
|
512
|
+
}
|
|
513
|
+
|
|
514
|
+
const char*
|
|
515
|
+
GetSelectedOutputFileName(int id)
|
|
516
|
+
{
|
|
517
|
+
static const char empty[] = "";
|
|
518
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
519
|
+
if (IPhreeqcPtr)
|
|
520
|
+
{
|
|
521
|
+
return IPhreeqcPtr->GetSelectedOutputFileName();
|
|
522
|
+
}
|
|
523
|
+
return empty;
|
|
524
|
+
}
|
|
525
|
+
|
|
526
|
+
int
|
|
527
|
+
GetSelectedOutputFileOn(int id)
|
|
528
|
+
{
|
|
529
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
530
|
+
if (IPhreeqcPtr)
|
|
531
|
+
{
|
|
532
|
+
if (IPhreeqcPtr->GetSelectedOutputFileOn())
|
|
533
|
+
{
|
|
534
|
+
return 1;
|
|
535
|
+
}
|
|
536
|
+
else
|
|
537
|
+
{
|
|
538
|
+
return 0;
|
|
539
|
+
}
|
|
540
|
+
}
|
|
541
|
+
return IPQ_BADINSTANCE;
|
|
542
|
+
}
|
|
543
|
+
|
|
544
|
+
int
|
|
545
|
+
GetSelectedOutputRowCount(int id)
|
|
546
|
+
{
|
|
547
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
548
|
+
if (IPhreeqcPtr)
|
|
549
|
+
{
|
|
550
|
+
return IPhreeqcPtr->GetSelectedOutputRowCount();
|
|
551
|
+
}
|
|
552
|
+
return IPQ_BADINSTANCE;
|
|
553
|
+
}
|
|
554
|
+
|
|
555
|
+
const char*
|
|
556
|
+
GetSelectedOutputString(int id)
|
|
557
|
+
{
|
|
558
|
+
static const char empty[] = "";
|
|
559
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
560
|
+
if (IPhreeqcPtr)
|
|
561
|
+
{
|
|
562
|
+
return IPhreeqcPtr->GetSelectedOutputString();
|
|
563
|
+
}
|
|
564
|
+
return empty;
|
|
565
|
+
}
|
|
566
|
+
|
|
567
|
+
const char*
|
|
568
|
+
GetSelectedOutputStringLine(int id, int n)
|
|
569
|
+
{
|
|
570
|
+
static const char err_msg[] = "GetSelectedOutputStringLine: Invalid instance id.\n";
|
|
571
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
572
|
+
if (IPhreeqcPtr)
|
|
573
|
+
{
|
|
574
|
+
return IPhreeqcPtr->GetSelectedOutputStringLine(n);
|
|
575
|
+
}
|
|
576
|
+
return err_msg;
|
|
577
|
+
}
|
|
578
|
+
|
|
579
|
+
int
|
|
580
|
+
GetSelectedOutputStringLineCount(int id)
|
|
581
|
+
{
|
|
582
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
583
|
+
if (IPhreeqcPtr)
|
|
584
|
+
{
|
|
585
|
+
return IPhreeqcPtr->GetSelectedOutputStringLineCount();
|
|
586
|
+
}
|
|
587
|
+
return 0;
|
|
588
|
+
}
|
|
589
|
+
|
|
590
|
+
int
|
|
591
|
+
GetSelectedOutputStringOn(int id)
|
|
592
|
+
{
|
|
593
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
594
|
+
if (IPhreeqcPtr)
|
|
595
|
+
{
|
|
596
|
+
if (IPhreeqcPtr->GetSelectedOutputStringOn())
|
|
597
|
+
{
|
|
598
|
+
return 1;
|
|
599
|
+
}
|
|
600
|
+
else
|
|
601
|
+
{
|
|
602
|
+
return 0;
|
|
603
|
+
}
|
|
604
|
+
}
|
|
605
|
+
return IPQ_BADINSTANCE;
|
|
606
|
+
}
|
|
607
|
+
|
|
608
|
+
IPQ_RESULT
|
|
609
|
+
GetSelectedOutputValue(int id, int row, int col, VAR* pVAR)
|
|
610
|
+
{
|
|
611
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
612
|
+
if (IPhreeqcPtr)
|
|
613
|
+
{
|
|
614
|
+
switch (IPhreeqcPtr->GetSelectedOutputValue(row, col, pVAR))
|
|
615
|
+
{
|
|
616
|
+
case VR_OK: return IPQ_OK;
|
|
617
|
+
case VR_OUTOFMEMORY: return IPQ_OUTOFMEMORY;
|
|
618
|
+
case VR_BADVARTYPE: return IPQ_BADVARTYPE;
|
|
619
|
+
case VR_INVALIDARG: return IPQ_INVALIDARG;
|
|
620
|
+
case VR_INVALIDROW: return IPQ_INVALIDROW;
|
|
621
|
+
case VR_INVALIDCOL: return IPQ_INVALIDCOL;
|
|
622
|
+
default:
|
|
623
|
+
assert(false);
|
|
624
|
+
}
|
|
625
|
+
}
|
|
626
|
+
return IPQ_BADINSTANCE;
|
|
627
|
+
}
|
|
628
|
+
|
|
629
|
+
IPQ_RESULT
|
|
630
|
+
GetSelectedOutputValue2(int id, int row, int col, int *vtype, double* dvalue, char* svalue, unsigned int svalue_length)
|
|
631
|
+
{
|
|
632
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
633
|
+
if (IPhreeqcPtr)
|
|
634
|
+
{
|
|
635
|
+
switch (IPhreeqcPtr->GetSelectedOutputValue2(row, col, vtype, dvalue, svalue, svalue_length))
|
|
636
|
+
{
|
|
637
|
+
case VR_OK: return IPQ_OK;
|
|
638
|
+
case VR_OUTOFMEMORY: return IPQ_OUTOFMEMORY;
|
|
639
|
+
case VR_BADVARTYPE: return IPQ_BADVARTYPE;
|
|
640
|
+
case VR_INVALIDARG: return IPQ_INVALIDARG;
|
|
641
|
+
case VR_INVALIDROW: return IPQ_INVALIDROW;
|
|
642
|
+
case VR_INVALIDCOL: return IPQ_INVALIDCOL;
|
|
643
|
+
default:
|
|
644
|
+
assert(false);
|
|
645
|
+
}
|
|
646
|
+
}
|
|
647
|
+
return IPQ_BADINSTANCE;
|
|
648
|
+
}
|
|
649
|
+
|
|
650
|
+
const char*
|
|
651
|
+
GetVersionString(void)
|
|
652
|
+
{
|
|
653
|
+
return IPhreeqc::GetVersionString();
|
|
654
|
+
}
|
|
655
|
+
|
|
656
|
+
const char*
|
|
657
|
+
GetWarningString(int id)
|
|
658
|
+
{
|
|
659
|
+
static const char err_msg[] = "GetWarningString: Invalid instance id.\n";
|
|
660
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
661
|
+
if (IPhreeqcPtr)
|
|
662
|
+
{
|
|
663
|
+
return IPhreeqcPtr->GetWarningString();
|
|
664
|
+
}
|
|
665
|
+
return err_msg;
|
|
666
|
+
}
|
|
667
|
+
|
|
668
|
+
const char*
|
|
669
|
+
GetWarningStringLine(int id, int n)
|
|
670
|
+
{
|
|
671
|
+
static const char err_msg[] = "GetWarningStringLine: Invalid instance id.\n";
|
|
672
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
673
|
+
if (IPhreeqcPtr)
|
|
674
|
+
{
|
|
675
|
+
return IPhreeqcPtr->GetWarningStringLine(n);
|
|
676
|
+
}
|
|
677
|
+
return err_msg;
|
|
678
|
+
}
|
|
679
|
+
|
|
680
|
+
int
|
|
681
|
+
GetWarningStringLineCount(int id)
|
|
682
|
+
{
|
|
683
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
684
|
+
if (IPhreeqcPtr)
|
|
685
|
+
{
|
|
686
|
+
return (int)IPhreeqcPtr->GetWarningStringLineCount();
|
|
687
|
+
}
|
|
688
|
+
return IPQ_BADINSTANCE;
|
|
689
|
+
}
|
|
690
|
+
|
|
691
|
+
int
|
|
692
|
+
LoadDatabase(int id, const char* filename)
|
|
693
|
+
{
|
|
694
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
695
|
+
if (IPhreeqcPtr)
|
|
696
|
+
{
|
|
697
|
+
return IPhreeqcPtr->LoadDatabase(filename);
|
|
698
|
+
}
|
|
699
|
+
return IPQ_BADINSTANCE;
|
|
700
|
+
}
|
|
701
|
+
|
|
702
|
+
int
|
|
703
|
+
LoadDatabaseString(int id, const char* input)
|
|
704
|
+
{
|
|
705
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
706
|
+
if (IPhreeqcPtr)
|
|
707
|
+
{
|
|
708
|
+
return IPhreeqcPtr->LoadDatabaseString(input);
|
|
709
|
+
}
|
|
710
|
+
return IPQ_BADINSTANCE;
|
|
711
|
+
}
|
|
712
|
+
|
|
713
|
+
void
|
|
714
|
+
OutputAccumulatedLines(int id)
|
|
715
|
+
{
|
|
716
|
+
static const char err_msg[] = "OutputAccumulatedLines: Invalid instance id.\n";
|
|
717
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
718
|
+
if (IPhreeqcPtr)
|
|
719
|
+
{
|
|
720
|
+
IPhreeqcPtr->OutputAccumulatedLines();
|
|
721
|
+
return;
|
|
722
|
+
}
|
|
723
|
+
#if !defined(R_SO)
|
|
724
|
+
std::cout << err_msg << std::endl;
|
|
725
|
+
#endif
|
|
726
|
+
}
|
|
727
|
+
|
|
728
|
+
void
|
|
729
|
+
OutputErrorString(int id)
|
|
730
|
+
{
|
|
731
|
+
static const char err_msg[] = "OutputErrorString: Invalid instance id.\n";
|
|
732
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
733
|
+
if (IPhreeqcPtr)
|
|
734
|
+
{
|
|
735
|
+
IPhreeqcPtr->OutputErrorString();
|
|
736
|
+
return;
|
|
737
|
+
}
|
|
738
|
+
#if !defined(R_SO)
|
|
739
|
+
std::cout << err_msg << std::endl;
|
|
740
|
+
#endif
|
|
741
|
+
}
|
|
742
|
+
|
|
743
|
+
void
|
|
744
|
+
OutputWarningString(int id)
|
|
745
|
+
{
|
|
746
|
+
static const char err_msg[] = "OutputWarningString: Invalid instance id.\n";
|
|
747
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
748
|
+
if (IPhreeqcPtr)
|
|
749
|
+
{
|
|
750
|
+
IPhreeqcPtr->OutputWarningString();
|
|
751
|
+
return;
|
|
752
|
+
}
|
|
753
|
+
#if !defined(R_SO)
|
|
754
|
+
std::cout << err_msg << std::endl;
|
|
755
|
+
#endif
|
|
756
|
+
}
|
|
757
|
+
|
|
758
|
+
int
|
|
759
|
+
RunAccumulated(int id)
|
|
760
|
+
{
|
|
761
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
762
|
+
if (IPhreeqcPtr)
|
|
763
|
+
{
|
|
764
|
+
return IPhreeqcPtr->RunAccumulated();
|
|
765
|
+
}
|
|
766
|
+
return IPQ_BADINSTANCE;
|
|
767
|
+
}
|
|
768
|
+
|
|
769
|
+
int
|
|
770
|
+
RunFile(int id, const char* filename)
|
|
771
|
+
{
|
|
772
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
773
|
+
if (IPhreeqcPtr)
|
|
774
|
+
{
|
|
775
|
+
return IPhreeqcPtr->RunFile(filename);
|
|
776
|
+
}
|
|
777
|
+
return IPQ_BADINSTANCE;
|
|
778
|
+
}
|
|
779
|
+
|
|
780
|
+
int
|
|
781
|
+
RunString(int id, const char* input)
|
|
782
|
+
{
|
|
783
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
784
|
+
if (IPhreeqcPtr)
|
|
785
|
+
{
|
|
786
|
+
return IPhreeqcPtr->RunString(input);
|
|
787
|
+
}
|
|
788
|
+
return IPQ_BADINSTANCE;
|
|
789
|
+
}
|
|
790
|
+
|
|
791
|
+
IPQ_RESULT
|
|
792
|
+
SetBasicCallback(int id, double (*fcn)(double x1, double x2, const char *str, void *cookie), void *cookie1)
|
|
793
|
+
{
|
|
794
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
795
|
+
if (IPhreeqcPtr)
|
|
796
|
+
{
|
|
797
|
+
IPhreeqcPtr->SetBasicCallback(fcn, cookie1);
|
|
798
|
+
return IPQ_OK;
|
|
799
|
+
}
|
|
800
|
+
return IPQ_BADINSTANCE;
|
|
801
|
+
}
|
|
802
|
+
#if !defined(R_SO)
|
|
803
|
+
#ifdef IPHREEQC_NO_FORTRAN_MODULE
|
|
804
|
+
IPQ_RESULT
|
|
805
|
+
SetBasicFortranCallback(int id, double (*fcn)(double *x1, double *x2, const char *str, size_t l))
|
|
806
|
+
{
|
|
807
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
808
|
+
if (IPhreeqcPtr)
|
|
809
|
+
{
|
|
810
|
+
IPhreeqcPtr->SetBasicFortranCallback(fcn);
|
|
811
|
+
return IPQ_OK;
|
|
812
|
+
}
|
|
813
|
+
return IPQ_BADINSTANCE;
|
|
814
|
+
}
|
|
815
|
+
#else
|
|
816
|
+
IPQ_RESULT
|
|
817
|
+
SetBasicFortranCallback(int id, double (*fcn)(double *x1, double *x2, const char *str, int l))
|
|
818
|
+
{
|
|
819
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
820
|
+
if (IPhreeqcPtr)
|
|
821
|
+
{
|
|
822
|
+
IPhreeqcPtr->SetBasicFortranCallback(fcn);
|
|
823
|
+
return IPQ_OK;
|
|
824
|
+
}
|
|
825
|
+
return IPQ_BADINSTANCE;
|
|
826
|
+
}
|
|
827
|
+
#endif /* IPHREEQC_NO_FORTRAN_MODULE */
|
|
828
|
+
#endif /* !defined(R_SO) */
|
|
829
|
+
IPQ_RESULT
|
|
830
|
+
SetCurrentSelectedOutputUserNumber(int id, int n)
|
|
831
|
+
{
|
|
832
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
833
|
+
if (IPhreeqcPtr)
|
|
834
|
+
{
|
|
835
|
+
switch (IPhreeqcPtr->SetCurrentSelectedOutputUserNumber(n))
|
|
836
|
+
{
|
|
837
|
+
case VR_INVALIDARG: return IPQ_INVALIDARG;
|
|
838
|
+
case VR_OK: return IPQ_OK;
|
|
839
|
+
default: assert(false);
|
|
840
|
+
}
|
|
841
|
+
}
|
|
842
|
+
return IPQ_BADINSTANCE;
|
|
843
|
+
}
|
|
844
|
+
|
|
845
|
+
IPQ_RESULT
|
|
846
|
+
SetDumpFileName(int id, const char* filename)
|
|
847
|
+
{
|
|
848
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
849
|
+
if (IPhreeqcPtr)
|
|
850
|
+
{
|
|
851
|
+
IPhreeqcPtr->SetDumpFileName(filename);
|
|
852
|
+
return IPQ_OK;
|
|
853
|
+
}
|
|
854
|
+
return IPQ_BADINSTANCE;
|
|
855
|
+
}
|
|
856
|
+
|
|
857
|
+
IPQ_RESULT
|
|
858
|
+
SetDumpFileOn(int id, int value)
|
|
859
|
+
{
|
|
860
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
861
|
+
if (IPhreeqcPtr)
|
|
862
|
+
{
|
|
863
|
+
IPhreeqcPtr->SetDumpFileOn(value != 0);
|
|
864
|
+
return IPQ_OK;
|
|
865
|
+
}
|
|
866
|
+
return IPQ_BADINSTANCE;
|
|
867
|
+
}
|
|
868
|
+
|
|
869
|
+
IPQ_RESULT
|
|
870
|
+
SetDumpStringOn(int id, int value)
|
|
871
|
+
{
|
|
872
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
873
|
+
if (IPhreeqcPtr)
|
|
874
|
+
{
|
|
875
|
+
IPhreeqcPtr->SetDumpStringOn(value != 0);
|
|
876
|
+
return IPQ_OK;
|
|
877
|
+
}
|
|
878
|
+
return IPQ_BADINSTANCE;
|
|
879
|
+
}
|
|
880
|
+
|
|
881
|
+
IPQ_RESULT
|
|
882
|
+
SetErrorFileName(int id, const char* filename)
|
|
883
|
+
{
|
|
884
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
885
|
+
if (IPhreeqcPtr)
|
|
886
|
+
{
|
|
887
|
+
IPhreeqcPtr->SetErrorFileName(filename);
|
|
888
|
+
return IPQ_OK;
|
|
889
|
+
}
|
|
890
|
+
return IPQ_BADINSTANCE;
|
|
891
|
+
}
|
|
892
|
+
|
|
893
|
+
IPQ_RESULT
|
|
894
|
+
SetErrorFileOn(int id, int value)
|
|
895
|
+
{
|
|
896
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
897
|
+
if (IPhreeqcPtr)
|
|
898
|
+
{
|
|
899
|
+
IPhreeqcPtr->SetErrorFileOn(value != 0);
|
|
900
|
+
return IPQ_OK;
|
|
901
|
+
}
|
|
902
|
+
return IPQ_BADINSTANCE;
|
|
903
|
+
}
|
|
904
|
+
|
|
905
|
+
IPQ_RESULT
|
|
906
|
+
SetErrorOn(int id, int value)
|
|
907
|
+
{
|
|
908
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
909
|
+
if (IPhreeqcPtr)
|
|
910
|
+
{
|
|
911
|
+
IPhreeqcPtr->SetErrorOn(value != 0);
|
|
912
|
+
return IPQ_OK;
|
|
913
|
+
}
|
|
914
|
+
return IPQ_BADINSTANCE;
|
|
915
|
+
}
|
|
916
|
+
|
|
917
|
+
IPQ_RESULT
|
|
918
|
+
SetErrorStringOn(int id, int value)
|
|
919
|
+
{
|
|
920
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
921
|
+
if (IPhreeqcPtr)
|
|
922
|
+
{
|
|
923
|
+
IPhreeqcPtr->SetErrorStringOn(value != 0);
|
|
924
|
+
return IPQ_OK;
|
|
925
|
+
}
|
|
926
|
+
return IPQ_BADINSTANCE;
|
|
927
|
+
}
|
|
928
|
+
|
|
929
|
+
IPQ_RESULT
|
|
930
|
+
SetLogFileName(int id, const char* filename)
|
|
931
|
+
{
|
|
932
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
933
|
+
if (IPhreeqcPtr)
|
|
934
|
+
{
|
|
935
|
+
IPhreeqcPtr->SetLogFileName(filename);
|
|
936
|
+
return IPQ_OK;
|
|
937
|
+
}
|
|
938
|
+
return IPQ_BADINSTANCE;
|
|
939
|
+
}
|
|
940
|
+
|
|
941
|
+
IPQ_RESULT
|
|
942
|
+
SetLogFileOn(int id, int value)
|
|
943
|
+
{
|
|
944
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
945
|
+
if (IPhreeqcPtr)
|
|
946
|
+
{
|
|
947
|
+
IPhreeqcPtr->SetLogFileOn(value != 0);
|
|
948
|
+
return IPQ_OK;
|
|
949
|
+
}
|
|
950
|
+
return IPQ_BADINSTANCE;
|
|
951
|
+
}
|
|
952
|
+
|
|
953
|
+
IPQ_RESULT
|
|
954
|
+
SetLogStringOn(int id, int value)
|
|
955
|
+
{
|
|
956
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
957
|
+
if (IPhreeqcPtr)
|
|
958
|
+
{
|
|
959
|
+
IPhreeqcPtr->SetLogStringOn(value != 0);
|
|
960
|
+
return IPQ_OK;
|
|
961
|
+
}
|
|
962
|
+
return IPQ_BADINSTANCE;
|
|
963
|
+
}
|
|
964
|
+
|
|
965
|
+
IPQ_RESULT
|
|
966
|
+
SetOutputFileName(int id, const char* filename)
|
|
967
|
+
{
|
|
968
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
969
|
+
if (IPhreeqcPtr)
|
|
970
|
+
{
|
|
971
|
+
IPhreeqcPtr->SetOutputFileName(filename);
|
|
972
|
+
return IPQ_OK;
|
|
973
|
+
}
|
|
974
|
+
return IPQ_BADINSTANCE;
|
|
975
|
+
}
|
|
976
|
+
|
|
977
|
+
IPQ_RESULT
|
|
978
|
+
SetOutputFileOn(int id, int value)
|
|
979
|
+
{
|
|
980
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
981
|
+
if (IPhreeqcPtr)
|
|
982
|
+
{
|
|
983
|
+
IPhreeqcPtr->SetOutputFileOn(value != 0);
|
|
984
|
+
return IPQ_OK;
|
|
985
|
+
}
|
|
986
|
+
return IPQ_BADINSTANCE;
|
|
987
|
+
}
|
|
988
|
+
|
|
989
|
+
IPQ_RESULT
|
|
990
|
+
SetOutputStringOn(int id, int value)
|
|
991
|
+
{
|
|
992
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
993
|
+
if (IPhreeqcPtr)
|
|
994
|
+
{
|
|
995
|
+
IPhreeqcPtr->SetOutputStringOn(value != 0);
|
|
996
|
+
return IPQ_OK;
|
|
997
|
+
}
|
|
998
|
+
return IPQ_BADINSTANCE;
|
|
999
|
+
}
|
|
1000
|
+
|
|
1001
|
+
IPQ_RESULT
|
|
1002
|
+
SetSelectedOutputFileName(int id, const char* filename)
|
|
1003
|
+
{
|
|
1004
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
1005
|
+
if (IPhreeqcPtr)
|
|
1006
|
+
{
|
|
1007
|
+
IPhreeqcPtr->SetSelectedOutputFileName(filename);
|
|
1008
|
+
return IPQ_OK;
|
|
1009
|
+
}
|
|
1010
|
+
return IPQ_BADINSTANCE;
|
|
1011
|
+
}
|
|
1012
|
+
|
|
1013
|
+
IPQ_RESULT
|
|
1014
|
+
SetSelectedOutputFileOn(int id, int value)
|
|
1015
|
+
{
|
|
1016
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
1017
|
+
if (IPhreeqcPtr)
|
|
1018
|
+
{
|
|
1019
|
+
IPhreeqcPtr->SetSelectedOutputFileOn(value != 0);
|
|
1020
|
+
return IPQ_OK;
|
|
1021
|
+
}
|
|
1022
|
+
return IPQ_BADINSTANCE;
|
|
1023
|
+
}
|
|
1024
|
+
|
|
1025
|
+
IPQ_RESULT
|
|
1026
|
+
SetSelectedOutputStringOn(int id, int value)
|
|
1027
|
+
{
|
|
1028
|
+
IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
|
|
1029
|
+
if (IPhreeqcPtr)
|
|
1030
|
+
{
|
|
1031
|
+
IPhreeqcPtr->SetSelectedOutputStringOn(value != 0);
|
|
1032
|
+
return IPQ_OK;
|
|
1033
|
+
}
|
|
1034
|
+
return IPQ_BADINSTANCE;
|
|
1035
|
+
}
|
|
1036
|
+
|
|
1037
|
+
// helper functions
|
|
1038
|
+
//
|
|
1039
|
+
|
|
1040
|
+
int
|
|
1041
|
+
IPhreeqcLib::CreateIPhreeqc(void)
|
|
1042
|
+
{
|
|
1043
|
+
int n = IPQ_OUTOFMEMORY;
|
|
1044
|
+
IPhreeqc* IPhreeqcPtr;
|
|
1045
|
+
try
|
|
1046
|
+
{
|
|
1047
|
+
IPhreeqcPtr = new IPhreeqc;
|
|
1048
|
+
n = (int) IPhreeqcPtr->Index;
|
|
1049
|
+
}
|
|
1050
|
+
catch (const std::bad_alloc&)
|
|
1051
|
+
{
|
|
1052
|
+
return IPQ_OUTOFMEMORY;
|
|
1053
|
+
}
|
|
1054
|
+
return n;
|
|
1055
|
+
}
|
|
1056
|
+
|
|
1057
|
+
IPQ_RESULT
|
|
1058
|
+
IPhreeqcLib::DestroyIPhreeqc(int id)
|
|
1059
|
+
{
|
|
1060
|
+
IPQ_RESULT retval = IPQ_BADINSTANCE;
|
|
1061
|
+
if (id >= 0)
|
|
1062
|
+
{
|
|
1063
|
+
if (IPhreeqc *ptr = IPhreeqcLib::GetInstance(id))
|
|
1064
|
+
{
|
|
1065
|
+
delete ptr;
|
|
1066
|
+
retval = IPQ_OK;
|
|
1067
|
+
}
|
|
1068
|
+
}
|
|
1069
|
+
return retval;
|
|
1070
|
+
}
|
|
1071
|
+
|
|
1072
|
+
IPhreeqc*
|
|
1073
|
+
IPhreeqcLib::GetInstance(int id)
|
|
1074
|
+
{
|
|
1075
|
+
IPhreeqc* instance = 0;
|
|
1076
|
+
mutex_lock(&map_lock);
|
|
1077
|
+
std::map<size_t, IPhreeqc*>::iterator it = IPhreeqc::Instances.find(size_t(id));
|
|
1078
|
+
if (it != IPhreeqc::Instances.end())
|
|
1079
|
+
{
|
|
1080
|
+
instance = (*it).second;
|
|
1081
|
+
}
|
|
1082
|
+
mutex_unlock(&map_lock);
|
|
1083
|
+
return instance;
|
|
1084
|
+
}
|
|
1085
|
+
//// static method
|
|
1086
|
+
//void IPhreeqcLib::CleanupIPhreeqcInstances(void)
|
|
1087
|
+
//{
|
|
1088
|
+
// std::map<size_t, IPhreeqc*>::iterator it = IPhreeqc::Instances.begin();
|
|
1089
|
+
// std::vector<IPhreeqc*> ip_list;
|
|
1090
|
+
// for ( ; it != IPhreeqc::Instances.end(); it++)
|
|
1091
|
+
// {
|
|
1092
|
+
// ip_list.push_back(it->second);
|
|
1093
|
+
// }
|
|
1094
|
+
// for (size_t i = 0; i < ip_list.size(); i++)
|
|
1095
|
+
// {
|
|
1096
|
+
// delete ip_list[i];
|
|
1097
|
+
// }
|
|
1098
|
+
//}
|