pyEQL 1.4.0rc9__cp313-cp313-macosx_10_13_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.
- pyEQL/__init__.py +50 -0
- pyEQL/_phreeqc.cpython-313-darwin.so +0 -0
- pyEQL/activity_correction.py +879 -0
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- pyEQL/database/phreeqc_license.txt +54 -0
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- 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
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- 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
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- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.am +8 -0
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- 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
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- pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_c.c +148 -0
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- 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 +491 -0
- pyeql-1.4.0rc9.dist-info/WHEEL +6 -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 "Keywords.h"
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#if defined(PHREEQCI_GUI)
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#ifdef _DEBUG
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#define new DEBUG_NEW
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#undef THIS_FILE
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static char THIS_FILE[] = __FILE__;
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#endif
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#endif
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Keywords::Keywords(void)
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{
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}
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Keywords::~Keywords(void)
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{
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}
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Keywords::KEYWORDS Keywords::Keyword_search(std::string key)
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{
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std::map<const std::string, Keywords::KEYWORDS>::const_iterator it;
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it = phreeqc_keywords.find(key);
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if (it != Keywords::phreeqc_keywords.end())
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{
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return it->second;
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}
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return Keywords::KEY_NONE;
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}
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const std::string & Keywords::Keyword_name_search(Keywords::KEYWORDS key)
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{
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std::map<Keywords::KEYWORDS, const std::string>::const_iterator it;
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it = phreeqc_keyword_names.find(key);
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if (it != Keywords::phreeqc_keyword_names.end())
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{
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return it->second;
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}
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it = phreeqc_keyword_names.find(KEY_NONE);
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return it->second;
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}
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const std::map<const std::string, Keywords::KEYWORDS>::value_type temp_keywords[] = {
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std::map<const std::string, Keywords::KEYWORDS>::value_type("eof", Keywords::KEY_END),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("end", Keywords::KEY_END),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_species", Keywords::KEY_SOLUTION_SPECIES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_master_species", Keywords::KEY_SOLUTION_MASTER_SPECIES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("solution", Keywords::KEY_SOLUTION),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("phases", Keywords::KEY_PHASES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("pure_phases", Keywords::KEY_EQUILIBRIUM_PHASES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction", Keywords::KEY_REACTION),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("mix", Keywords::KEY_MIX),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("use", Keywords::KEY_USE),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("save", Keywords::KEY_SAVE),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_species", Keywords::KEY_EXCHANGE_SPECIES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_master_species", Keywords::KEY_EXCHANGE_MASTER_SPECIES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange", Keywords::KEY_EXCHANGE),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_species", Keywords::KEY_SURFACE_SPECIES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_master_species", Keywords::KEY_SURFACE_MASTER_SPECIES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("surface", Keywords::KEY_SURFACE),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_temperature", Keywords::KEY_REACTION_TEMPERATURE),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("inverse_modeling", Keywords::KEY_INVERSE_MODELING),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_phase", Keywords::KEY_GAS_PHASE),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("transport", Keywords::KEY_TRANSPORT),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("debug", Keywords::KEY_KNOBS),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("selected_output", Keywords::KEY_SELECTED_OUTPUT),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("select_output", Keywords::KEY_SELECTED_OUTPUT),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("knobs", Keywords::KEY_KNOBS),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("print", Keywords::KEY_PRINT),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phases", Keywords::KEY_EQUILIBRIUM_PHASES),
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71
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std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibria", Keywords::KEY_EQUILIBRIUM_PHASES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium", Keywords::KEY_EQUILIBRIUM_PHASES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("pure", Keywords::KEY_EQUILIBRIUM_PHASES),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("title", Keywords::KEY_TITLE),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("comment", Keywords::KEY_TITLE),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("advection", Keywords::KEY_ADVECTION),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("kinetics", Keywords::KEY_KINETICS),
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78
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std::map<const std::string, Keywords::KEYWORDS>::value_type("incremental_reactions", Keywords::KEY_INCREMENTAL_REACTIONS),
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79
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std::map<const std::string, Keywords::KEYWORDS>::value_type("incremental", Keywords::KEY_INCREMENTAL_REACTIONS),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("rates", Keywords::KEY_RATES),
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81
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std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_s", Keywords::KEY_SOLUTION_SPREAD),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("user_print", Keywords::KEY_USER_PRINT),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("user_punch", Keywords::KEY_USER_PUNCH),
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84
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std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solutions", Keywords::KEY_SOLID_SOLUTIONS),
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85
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std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solution", Keywords::KEY_SOLID_SOLUTIONS),
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86
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std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_spread", Keywords::KEY_SOLUTION_SPREAD),
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87
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std::map<const std::string, Keywords::KEYWORDS>::value_type("spread_solution", Keywords::KEY_SOLUTION_SPREAD),
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88
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std::map<const std::string, Keywords::KEYWORDS>::value_type("selected_out", Keywords::KEY_SELECTED_OUTPUT),
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89
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std::map<const std::string, Keywords::KEYWORDS>::value_type("select_out", Keywords::KEY_SELECTED_OUTPUT),
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90
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std::map<const std::string, Keywords::KEYWORDS>::value_type("user_graph", Keywords::KEY_USER_GRAPH),
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91
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std::map<const std::string, Keywords::KEYWORDS>::value_type("llnl_aqueous_model_parameters",Keywords::KEY_LLNL_AQUEOUS_MODEL_PARAMETERS),
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92
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std::map<const std::string, Keywords::KEYWORDS>::value_type("llnl_aqueous_model", Keywords::KEY_LLNL_AQUEOUS_MODEL_PARAMETERS),
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93
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std::map<const std::string, Keywords::KEYWORDS>::value_type("database", Keywords::KEY_DATABASE),
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94
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std::map<const std::string, Keywords::KEYWORDS>::value_type("named_analytical_expression", Keywords::KEY_NAMED_EXPRESSIONS),
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95
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std::map<const std::string, Keywords::KEYWORDS>::value_type("named_analytical_expressions", Keywords::KEY_NAMED_EXPRESSIONS),
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96
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std::map<const std::string, Keywords::KEYWORDS>::value_type("named_expressions", Keywords::KEY_NAMED_EXPRESSIONS),
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97
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std::map<const std::string, Keywords::KEYWORDS>::value_type("named_log_k", Keywords::KEY_NAMED_EXPRESSIONS),
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98
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std::map<const std::string, Keywords::KEYWORDS>::value_type("isotopes", Keywords::KEY_ISOTOPES),
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99
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std::map<const std::string, Keywords::KEYWORDS>::value_type("calculate_values", Keywords::KEY_CALCULATE_VALUES),
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100
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std::map<const std::string, Keywords::KEYWORDS>::value_type("isotope_ratios", Keywords::KEY_ISOTOPE_RATIOS),
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101
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std::map<const std::string, Keywords::KEYWORDS>::value_type("isotope_alphas", Keywords::KEY_ISOTOPE_ALPHAS),
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102
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std::map<const std::string, Keywords::KEYWORDS>::value_type("copy", Keywords::KEY_COPY),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("pitzer", Keywords::KEY_PITZER),
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std::map<const std::string, Keywords::KEYWORDS>::value_type("sit", Keywords::KEY_SIT),
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105
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std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phase", Keywords::KEY_EQUILIBRIUM_PHASES),
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106
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_raw", Keywords::KEY_SOLUTION_RAW),
|
|
107
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_raw", Keywords::KEY_EXCHANGE_RAW),
|
|
108
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_raw", Keywords::KEY_SURFACE_RAW),
|
|
109
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phases_raw", Keywords::KEY_EQUILIBRIUM_PHASES_RAW),
|
|
110
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("kinetics_raw", Keywords::KEY_KINETICS_RAW),
|
|
111
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solutions_raw", Keywords::KEY_SOLID_SOLUTIONS_RAW),
|
|
112
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_phase_raw", Keywords::KEY_GAS_PHASE_RAW),
|
|
113
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_raw", Keywords::KEY_REACTION_RAW),
|
|
114
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_raw", Keywords::KEY_MIX_RAW),
|
|
115
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_temperature_raw", Keywords::KEY_REACTION_TEMPERATURE_RAW),
|
|
116
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("dump", Keywords::KEY_DUMP),
|
|
117
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_modify", Keywords::KEY_SOLUTION_MODIFY),
|
|
118
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phases_modify", Keywords::KEY_EQUILIBRIUM_PHASES_MODIFY),
|
|
119
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_modify", Keywords::KEY_EXCHANGE_MODIFY),
|
|
120
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_modify", Keywords::KEY_SURFACE_MODIFY),
|
|
121
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solutions_modify", Keywords::KEY_SOLID_SOLUTIONS_MODIFY),
|
|
122
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_phase_modify", Keywords::KEY_GAS_PHASE_MODIFY),
|
|
123
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("kinetics_modify", Keywords::KEY_KINETICS_MODIFY),
|
|
124
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("delete", Keywords::KEY_DELETE),
|
|
125
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("run_cells", Keywords::KEY_RUN_CELLS),
|
|
126
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_modify", Keywords::KEY_REACTION_MODIFY),
|
|
127
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_temperature_modify", Keywords::KEY_REACTION_TEMPERATURE_MODIFY),
|
|
128
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solution_modify", Keywords::KEY_SOLID_SOLUTIONS_MODIFY),
|
|
129
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure", Keywords::KEY_REACTION_PRESSURE),
|
|
130
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressures", Keywords::KEY_REACTION_PRESSURE),
|
|
131
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure_raw", Keywords::KEY_REACTION_PRESSURE_RAW),
|
|
132
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure_modify", Keywords::KEY_REACTION_PRESSURE_MODIFY),
|
|
133
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_pk", Keywords::KEY_RATE_PARAMETERS_PK),
|
|
134
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_svd", Keywords::KEY_RATE_PARAMETERS_SVD),
|
|
135
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_hermanska", Keywords::KEY_RATE_PARAMETERS_HERMANSKA),
|
|
136
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mean_gammas", Keywords::KEY_MEAN_GAMMAS),
|
|
137
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_binary_parameters", Keywords::KEY_GAS_BINARY_PARAMETERS),
|
|
138
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_mix", Keywords::KEY_SOLUTION_MIX),
|
|
139
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_solution", Keywords::KEY_SOLUTION_MIX),
|
|
140
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_mix", Keywords::KEY_EXCHANGE_MIX),
|
|
141
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_exchange", Keywords::KEY_EXCHANGE_MIX),
|
|
142
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("gas_phase_mix", Keywords::KEY_GAS_PHASE_MIX),
|
|
143
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_gas_phase", Keywords::KEY_GAS_PHASE_MIX),
|
|
144
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("kinetics_mix", Keywords::KEY_KINETICS_MIX),
|
|
145
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_kinetics", Keywords::KEY_KINETICS_MIX),
|
|
146
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phases_mix", Keywords::KEY_PPASSEMBLAGE_MIX),
|
|
147
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_equilibrium_phases", Keywords::KEY_PPASSEMBLAGE_MIX),
|
|
148
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("equilibrium_phase_mix", Keywords::KEY_PPASSEMBLAGE_MIX),
|
|
149
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_equilibrium_phase", Keywords::KEY_PPASSEMBLAGE_MIX),
|
|
150
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solutions_mix", Keywords::KEY_SSASSEMBLAGE_MIX),
|
|
151
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_solid_solutions", Keywords::KEY_SSASSEMBLAGE_MIX),
|
|
152
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("solid_solution_mix", Keywords::KEY_SSASSEMBLAGE_MIX),
|
|
153
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_solid_solution", Keywords::KEY_SSASSEMBLAGE_MIX),
|
|
154
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("surface_mix", Keywords::KEY_SURFACE_MIX),
|
|
155
|
+
std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_surface", Keywords::KEY_SURFACE_MIX)
|
|
156
|
+
};
|
|
157
|
+
const std::map<const std::string, Keywords::KEYWORDS> Keywords::phreeqc_keywords(temp_keywords, temp_keywords + sizeof temp_keywords / sizeof temp_keywords[0]);
|
|
158
|
+
|
|
159
|
+
const std::map<Keywords::KEYWORDS, std::string>::value_type temp_keyword_names[] = {
|
|
160
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_NONE, "UNKNOWN"),
|
|
161
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_END, "END"),
|
|
162
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_SPECIES, "SOLUTION_SPECIES"),
|
|
163
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_MASTER_SPECIES, "SOLUTION_MASTER_SPECIES"),
|
|
164
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION, "SOLUTION"),
|
|
165
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PHASES, "PHASES"),
|
|
166
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION, "REACTION"),
|
|
167
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_MIX, "MIX"),
|
|
168
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_USE, "USE"),
|
|
169
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SAVE, "SAVE"),
|
|
170
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_SPECIES, "EXCHANGE_SPECIES"),
|
|
171
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_MASTER_SPECIES, "EXCHANGE_MASTER_SPECIES"),
|
|
172
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE, "EXCHANGE"),
|
|
173
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_SPECIES, "SURFACE_SPECIES"),
|
|
174
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_MASTER_SPECIES, "SURFACE_MASTER_SPECIES"),
|
|
175
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE, "SURFACE"),
|
|
176
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_TEMPERATURE, "REACTION_TEMPERATURE"),
|
|
177
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_INVERSE_MODELING, "INVERSE_MODELING"),
|
|
178
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE, "GAS_PHASE"),
|
|
179
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_TRANSPORT, "TRANSPORT"),
|
|
180
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SELECTED_OUTPUT, "SELECTED_OUTPUT"),
|
|
181
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KNOBS, "KNOBS"),
|
|
182
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PRINT, "PRINT"),
|
|
183
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EQUILIBRIUM_PHASES, "EQUILIBRIUM_PHASES"),
|
|
184
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_TITLE, "TITLE"),
|
|
185
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_ADVECTION, "ADVECTION"),
|
|
186
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS, "KINETICS"),
|
|
187
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_INCREMENTAL_REACTIONS, "INCREMENTAL_REACTIONS"),
|
|
188
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATES, "RATES"),
|
|
189
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_USER_PRINT, "USER_PRINT"),
|
|
190
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_USER_PUNCH, "USER_PUNCH"),
|
|
191
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLID_SOLUTIONS, "SOLID_SOLUTIONS"),
|
|
192
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_SPREAD, "SOLUTION_SPREAD"),
|
|
193
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_USER_GRAPH, "USER_GRAPH"),
|
|
194
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_LLNL_AQUEOUS_MODEL_PARAMETERS,"LLNL_AQUEOUS_MODEL_PARAMETERS"),
|
|
195
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_DATABASE, "DATABASE"),
|
|
196
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_NAMED_EXPRESSIONS, "NAMED_EXPRESSIONS"),
|
|
197
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_ISOTOPES, "ISOTOPES"),
|
|
198
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_CALCULATE_VALUES, "CALCULATE_VALUES"),
|
|
199
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_ISOTOPE_RATIOS, "ISOTOPE_RATIOS"),
|
|
200
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_ISOTOPE_ALPHAS, "ISOTOPE_ALPHAS"),
|
|
201
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_COPY, "COPY"),
|
|
202
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PITZER, "PITZER"),
|
|
203
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SIT, "SIT"),
|
|
204
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_RAW, "SOLUTION_RAW"),
|
|
205
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_RAW, "EXCHANGE_RAW"),
|
|
206
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_RAW, "SURFACE_RAW"),
|
|
207
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EQUILIBRIUM_PHASES_RAW, "EQUILIBRIUM_PHASES_RAW"),
|
|
208
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS_RAW, "KINETICS_RAW"),
|
|
209
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLID_SOLUTIONS_RAW, "SOLID_SOLUTIONS_RAW"),
|
|
210
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE_RAW, "GAS_PHASE_RAW"),
|
|
211
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_RAW, "REACTION_RAW"),
|
|
212
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_MIX_RAW, "MIX_RAW"),
|
|
213
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_TEMPERATURE_RAW, "REACTION_TEMPERATURE_RAW"),
|
|
214
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_DUMP, "DUMP"),
|
|
215
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_MODIFY, "SOLUTION_MODIFY"),
|
|
216
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EQUILIBRIUM_PHASES_MODIFY, "EQUILIBRIUM_PHASES_MODIFY"),
|
|
217
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_MODIFY, "EXCHANGE_MODIFY"),
|
|
218
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_MODIFY, "SURFACE_MODIFY"),
|
|
219
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLID_SOLUTIONS_MODIFY, "SOLID_SOLUTIONS_MODIFY"),
|
|
220
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE_MODIFY, "GAS_PHASE_MODIFY"),
|
|
221
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS_MODIFY, "KINETICS_MODIFY"),
|
|
222
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_DELETE, "DELETE"),
|
|
223
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RUN_CELLS, "RUN_CELLS"),
|
|
224
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_MODIFY, "REACTION_MODIFY"),
|
|
225
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_TEMPERATURE_MODIFY, "REACTION_TEMPERATURE_MODIFY"),
|
|
226
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE, "REACTION_PRESSURE"),
|
|
227
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE_RAW, "REACTION_PRESSURE_RAW"),
|
|
228
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE_MODIFY, "REACTION_PRESSURE_MODIFY"),
|
|
229
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_PK, "RATE_PARAMETERS_PK"),
|
|
230
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_SVD, "RATE_PARAMETERS_SVD"),
|
|
231
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_HERMANSKA, "RATE_PARAMETERS_HERMANSKA"),
|
|
232
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_MEAN_GAMMAS, "MEAN_GAMMAS"),
|
|
233
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_BINARY_PARAMETERS, "GAS_BINARY_PARAMETERS"),
|
|
234
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_MIX, "SOLUTION_MIX"),
|
|
235
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_MIX, "EXCHANGE_MIX"),
|
|
236
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE_MIX, "GAS_PHASE_MIX"),
|
|
237
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS_MIX, "KINETICS_MIX"),
|
|
238
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PPASSEMBLAGE_MIX, "EQUILIBRIUM_PHASES_MIX"),
|
|
239
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SSASSEMBLAGE_MIX, "SOLID_SOLUTIONS_MIX"),
|
|
240
|
+
std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_MIX, "SURFACE_MIX")
|
|
241
|
+
};
|
|
242
|
+
const std::map<Keywords::KEYWORDS, const std::string> Keywords::phreeqc_keyword_names(temp_keyword_names, temp_keyword_names + sizeof temp_keyword_names / sizeof temp_keyword_names[0]);
|
|
@@ -0,0 +1,104 @@
|
|
|
1
|
+
#ifndef _INC_KEYWORDS_H
|
|
2
|
+
#define _INC_KEYWORDS_H
|
|
3
|
+
#include <string>
|
|
4
|
+
#include <map>
|
|
5
|
+
class Keywords
|
|
6
|
+
{
|
|
7
|
+
public:
|
|
8
|
+
enum KEYWORDS
|
|
9
|
+
{
|
|
10
|
+
KEY_NONE,
|
|
11
|
+
KEY_END,
|
|
12
|
+
KEY_SOLUTION_SPECIES,
|
|
13
|
+
KEY_SOLUTION_MASTER_SPECIES,
|
|
14
|
+
KEY_SOLUTION,
|
|
15
|
+
KEY_PHASES,
|
|
16
|
+
KEY_REACTION,
|
|
17
|
+
KEY_MIX,
|
|
18
|
+
KEY_USE,
|
|
19
|
+
KEY_SAVE,
|
|
20
|
+
KEY_EXCHANGE_SPECIES,
|
|
21
|
+
KEY_EXCHANGE_MASTER_SPECIES,
|
|
22
|
+
KEY_EXCHANGE,
|
|
23
|
+
KEY_SURFACE_SPECIES,
|
|
24
|
+
KEY_SURFACE_MASTER_SPECIES,
|
|
25
|
+
KEY_SURFACE,
|
|
26
|
+
KEY_REACTION_TEMPERATURE,
|
|
27
|
+
KEY_INVERSE_MODELING,
|
|
28
|
+
KEY_GAS_PHASE,
|
|
29
|
+
KEY_TRANSPORT,
|
|
30
|
+
KEY_SELECTED_OUTPUT,
|
|
31
|
+
KEY_KNOBS,
|
|
32
|
+
KEY_PRINT,
|
|
33
|
+
KEY_EQUILIBRIUM_PHASES,
|
|
34
|
+
KEY_TITLE,
|
|
35
|
+
KEY_ADVECTION,
|
|
36
|
+
KEY_KINETICS,
|
|
37
|
+
KEY_INCREMENTAL_REACTIONS,
|
|
38
|
+
KEY_RATES,
|
|
39
|
+
KEY_USER_PRINT,
|
|
40
|
+
KEY_USER_PUNCH,
|
|
41
|
+
KEY_SOLID_SOLUTIONS,
|
|
42
|
+
KEY_SOLUTION_SPREAD,
|
|
43
|
+
KEY_USER_GRAPH,
|
|
44
|
+
KEY_LLNL_AQUEOUS_MODEL_PARAMETERS,
|
|
45
|
+
KEY_DATABASE,
|
|
46
|
+
KEY_NAMED_EXPRESSIONS,
|
|
47
|
+
KEY_ISOTOPES,
|
|
48
|
+
KEY_CALCULATE_VALUES,
|
|
49
|
+
KEY_ISOTOPE_RATIOS,
|
|
50
|
+
KEY_ISOTOPE_ALPHAS,
|
|
51
|
+
KEY_COPY,
|
|
52
|
+
KEY_PITZER,
|
|
53
|
+
KEY_SIT,
|
|
54
|
+
KEY_SOLUTION_RAW,
|
|
55
|
+
KEY_EXCHANGE_RAW,
|
|
56
|
+
KEY_SURFACE_RAW,
|
|
57
|
+
KEY_EQUILIBRIUM_PHASES_RAW,
|
|
58
|
+
KEY_KINETICS_RAW,
|
|
59
|
+
KEY_SOLID_SOLUTIONS_RAW,
|
|
60
|
+
KEY_GAS_PHASE_RAW,
|
|
61
|
+
KEY_REACTION_RAW,
|
|
62
|
+
KEY_MIX_RAW,
|
|
63
|
+
KEY_REACTION_TEMPERATURE_RAW,
|
|
64
|
+
KEY_DUMP,
|
|
65
|
+
KEY_SOLUTION_MODIFY,
|
|
66
|
+
KEY_EQUILIBRIUM_PHASES_MODIFY,
|
|
67
|
+
KEY_EXCHANGE_MODIFY,
|
|
68
|
+
KEY_SURFACE_MODIFY,
|
|
69
|
+
KEY_SOLID_SOLUTIONS_MODIFY,
|
|
70
|
+
KEY_GAS_PHASE_MODIFY,
|
|
71
|
+
KEY_KINETICS_MODIFY,
|
|
72
|
+
KEY_DELETE,
|
|
73
|
+
KEY_RUN_CELLS,
|
|
74
|
+
KEY_REACTION_MODIFY,
|
|
75
|
+
KEY_REACTION_TEMPERATURE_MODIFY,
|
|
76
|
+
KEY_REACTION_PRESSURE,
|
|
77
|
+
KEY_REACTION_PRESSURE_RAW,
|
|
78
|
+
KEY_REACTION_PRESSURE_MODIFY,
|
|
79
|
+
KEY_RATE_PARAMETERS_PK,
|
|
80
|
+
KEY_RATE_PARAMETERS_SVD,
|
|
81
|
+
KEY_RATE_PARAMETERS_HERMANSKA,
|
|
82
|
+
KEY_MEAN_GAMMAS,
|
|
83
|
+
KEY_GAS_BINARY_PARAMETERS,
|
|
84
|
+
KEY_SOLUTION_MIX,
|
|
85
|
+
KEY_EXCHANGE_MIX,
|
|
86
|
+
KEY_GAS_PHASE_MIX,
|
|
87
|
+
KEY_KINETICS_MIX,
|
|
88
|
+
KEY_PPASSEMBLAGE_MIX,
|
|
89
|
+
KEY_SSASSEMBLAGE_MIX,
|
|
90
|
+
KEY_SURFACE_MIX,
|
|
91
|
+
KEY_COUNT_KEYWORDS // must be last in list
|
|
92
|
+
};
|
|
93
|
+
|
|
94
|
+
Keywords(void);
|
|
95
|
+
~Keywords(void);
|
|
96
|
+
|
|
97
|
+
static KEYWORDS Keyword_search(std::string key);
|
|
98
|
+
static const std::string & Keyword_name_search(KEYWORDS key);
|
|
99
|
+
|
|
100
|
+
static const std::map<const std::string, KEYWORDS> phreeqc_keywords;
|
|
101
|
+
static const std::map<KEYWORDS, const std::string> phreeqc_keyword_names;
|
|
102
|
+
};
|
|
103
|
+
|
|
104
|
+
#endif // _INC_KEYWORDS_H
|