pyEQL 1.4.0rc9__cp311-cp311-macosx_11_0_arm64.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (491) hide show
  1. pyEQL/__init__.py +50 -0
  2. pyEQL/_phreeqc.cpython-311-darwin.so +0 -0
  3. pyEQL/activity_correction.py +879 -0
  4. pyEQL/database/geothermal.dat +5693 -0
  5. pyEQL/database/llnl.dat +19305 -0
  6. pyEQL/database/phreeqc_license.txt +54 -0
  7. pyEQL/database/pyeql_db.json +35607 -0
  8. pyEQL/engines.py +1153 -0
  9. pyEQL/equilibrium.py +227 -0
  10. pyEQL/functions.py +281 -0
  11. pyEQL/phreeqc/__init__.py +5 -0
  12. pyEQL/phreeqc/bindings.cpp +84 -0
  13. pyEQL/phreeqc/core.py +239 -0
  14. pyEQL/phreeqc/database/Amm.dat +1968 -0
  15. pyEQL/phreeqc/database/CMakeLists.txt +32 -0
  16. pyEQL/phreeqc/database/ColdChem.dat +267 -0
  17. pyEQL/phreeqc/database/Concrete_PHR.dat +158 -0
  18. pyEQL/phreeqc/database/Concrete_PZ.dat +195 -0
  19. pyEQL/phreeqc/database/Kinec.v2.dat +12039 -0
  20. pyEQL/phreeqc/database/Kinec_v3.dat +12159 -0
  21. pyEQL/phreeqc/database/Makefile.am +28 -0
  22. pyEQL/phreeqc/database/Makefile.in +530 -0
  23. pyEQL/phreeqc/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat +12965 -0
  24. pyEQL/phreeqc/database/Tipping_Hurley.dat +4137 -0
  25. pyEQL/phreeqc/database/__init__.py +0 -0
  26. pyEQL/phreeqc/database/core10.dat +6824 -0
  27. pyEQL/phreeqc/database/frezchem.dat +634 -0
  28. pyEQL/phreeqc/database/iso.dat +7235 -0
  29. pyEQL/phreeqc/database/llnl.dat +19310 -0
  30. pyEQL/phreeqc/database/minteq.dat +5654 -0
  31. pyEQL/phreeqc/database/minteq.v4.dat +13212 -0
  32. pyEQL/phreeqc/database/phreeqc.dat +1972 -0
  33. pyEQL/phreeqc/database/phreeqc_rates.dat +3158 -0
  34. pyEQL/phreeqc/database/pitzer.dat +1044 -0
  35. pyEQL/phreeqc/database/sit.dat +14348 -0
  36. pyEQL/phreeqc/database/wateq4f.dat +4036 -0
  37. pyEQL/phreeqc/ext/README.md +10 -0
  38. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/CMakeLists.txt +476 -0
  39. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/INSTALL +302 -0
  40. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/IPhreeqc.rc +61 -0
  41. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/IPhreeqcConfig.cmake.in +4 -0
  42. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.am +8 -0
  43. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.in +816 -0
  44. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/aclocal.m4 +1217 -0
  45. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/CTestScript.cmake +167 -0
  46. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/CSelectedOutput.cpp.o +0 -0
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  48. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/IPhreeqcLib.cpp.o +0 -0
  49. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/IPhreeqc_interface_F.cpp.o +0 -0
  50. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/Var.c.o +0 -0
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  372. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.h +209 -0
  373. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.cxx +213 -0
  374. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.h +42 -0
  375. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.cxx +1795 -0
  376. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.h +154 -0
  377. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.cxx +333 -0
  378. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.h +85 -0
  379. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.cxx +1507 -0
  380. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.h +141 -0
  381. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.cpp +358 -0
  382. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.h +81 -0
  383. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.cxx +837 -0
  384. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.h +108 -0
  385. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.cxx +617 -0
  386. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.h +137 -0
  387. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.cxx +509 -0
  388. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.h +70 -0
  389. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.cxx +103 -0
  390. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.h +89 -0
  391. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.cxx +423 -0
  392. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.h +42 -0
  393. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.cpp +78 -0
  394. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.h +159 -0
  395. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.cpp +32 -0
  396. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.h +39 -0
  397. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ZedGraph.dll +0 -0
  398. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/advection.cpp +140 -0
  399. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/basicsubs.cpp +4333 -0
  400. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cl1.cpp +881 -0
  401. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.cxx +117 -0
  402. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.h +48 -0
  403. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_exports.h +20 -0
  404. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.cpp +914 -0
  405. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.h +207 -0
  406. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.cxx +1331 -0
  407. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.h +310 -0
  408. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.cxx +263 -0
  409. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.h +29 -0
  410. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/phrqtype.h +18 -0
  411. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.cpp +566 -0
  412. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.h +267 -0
  413. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.cpp +3939 -0
  414. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.h +940 -0
  415. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.cxx +617 -0
  416. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.h +78 -0
  417. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.cxx +154 -0
  418. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.h +58 -0
  419. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.cpp +175 -0
  420. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.h +341 -0
  421. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.cpp +277 -0
  422. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.h +60 -0
  423. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/gases.cpp +748 -0
  424. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/global_structures.h +1672 -0
  425. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/input.cpp +133 -0
  426. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/integrate.cpp +1219 -0
  427. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/inverse.cpp +5135 -0
  428. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/isotopes.cpp +1813 -0
  429. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/kinetics.cpp +3180 -0
  430. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/mainsubs.cpp +2320 -0
  431. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/model.cpp +5843 -0
  432. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.cpp +272 -0
  433. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.h +485 -0
  434. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.cpp +1032 -0
  435. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.h +369 -0
  436. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/parse.cpp +1044 -0
  437. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.cpp +316 -0
  438. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.h +47 -0
  439. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer.cpp +2709 -0
  440. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer_structures.cpp +225 -0
  441. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/prep.cpp +6267 -0
  442. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/print.cpp +3673 -0
  443. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/read.cpp +10245 -0
  444. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/readtr.cpp +1495 -0
  445. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.cpp +158 -0
  446. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.h +33 -0
  447. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sit.cpp +1684 -0
  448. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.cpp +324 -0
  449. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.h +261 -0
  450. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/spread.cpp +1309 -0
  451. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/step.cpp +1566 -0
  452. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/structures.cpp +3381 -0
  453. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.cpp +133 -0
  454. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.h +162 -0
  455. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialstypes.h +183 -0
  456. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tally.cpp +1288 -0
  457. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tidy.cpp +5600 -0
  458. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/transport.cpp +6403 -0
  459. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/utilities.cpp +1339 -0
  460. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/thread.h +64 -0
  461. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/CMakeLists.txt +133 -0
  462. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.am +45 -0
  463. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.in +1128 -0
  464. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/ex2.in +26 -0
  465. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main.f90 +31 -0
  466. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main77.f +6 -0
  467. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main_fortran.cxx +8 -0
  468. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/phreeqc.dat.in +1556 -0
  469. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_c.c +148 -0
  470. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_cxx.cxx +152 -0
  471. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_f90.F90 +328 -0
  472. pyEQL/phreeqc/iphreeqc_wrapper.cpp +75 -0
  473. pyEQL/phreeqc/solution.py +74 -0
  474. pyEQL/phreeqc/var.py +50 -0
  475. pyEQL/presets/Ringers lactate.yaml +20 -0
  476. pyEQL/presets/__init__.py +17 -0
  477. pyEQL/presets/normal saline.yaml +17 -0
  478. pyEQL/presets/rainwater.yaml +17 -0
  479. pyEQL/presets/seawater.yaml +29 -0
  480. pyEQL/presets/urine.yaml +26 -0
  481. pyEQL/presets/wastewater.yaml +21 -0
  482. pyEQL/py.typed +0 -0
  483. pyEQL/salt_ion_match.py +112 -0
  484. pyEQL/solute.py +163 -0
  485. pyEQL/solution.py +2714 -0
  486. pyEQL/utils.py +237 -0
  487. pyeql-1.4.0rc9.dist-info/METADATA +130 -0
  488. pyeql-1.4.0rc9.dist-info/RECORD +491 -0
  489. pyeql-1.4.0rc9.dist-info/WHEEL +6 -0
  490. pyeql-1.4.0rc9.dist-info/licenses/AUTHORS.md +21 -0
  491. pyeql-1.4.0rc9.dist-info/licenses/LICENSE.txt +20 -0
@@ -0,0 +1,213 @@
1
+ #include "Serializer.h"
2
+ #include "Phreeqc.h"
3
+ #include "Utils.h"
4
+ #include "Solution.h"
5
+ #include "Exchange.h"
6
+ #include "Temperature.h"
7
+ #include "GasPhase.h"
8
+ #include "cxxKinetics.h"
9
+ #include "PPassemblage.h"
10
+ #include "SSassemblage.h"
11
+ #include "Surface.h"
12
+
13
+ #if defined(PHREEQCI_GUI)
14
+ #ifdef _DEBUG
15
+ #define new DEBUG_NEW
16
+ #undef THIS_FILE
17
+ static char THIS_FILE[] = __FILE__;
18
+ #endif
19
+ #endif
20
+
21
+ Serializer::Serializer(PHRQ_io *io)
22
+ : PHRQ_base(io)
23
+ {
24
+ }
25
+ Serializer::~Serializer(void)
26
+ {
27
+ }
28
+ bool Serializer::Serialize(Phreeqc &phreeqc_ref, int start, int end, bool include_t, bool include_p, PHRQ_io *io)
29
+ {
30
+ for (int i = start; i <= end; i++)
31
+ {
32
+ cxxSolution *soln_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_solution_map(), i);
33
+ if (soln_ptr)
34
+ {
35
+ ints.push_back((int) PT_SOLUTION);
36
+ soln_ptr->Serialize(this->dictionary, this->ints, this->doubles);
37
+ }
38
+ // Exchangers
39
+ {
40
+ cxxExchange *entity_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_exchange_map(), i);
41
+ if (entity_ptr)
42
+ {
43
+ ints.push_back((int) PT_EXCHANGE);
44
+ entity_ptr->Serialize(this->dictionary, this->ints, this->doubles);
45
+ }
46
+ }
47
+ // GasPhases
48
+ {
49
+ cxxGasPhase *entity_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_gas_phase_map(), i);
50
+ if (entity_ptr)
51
+ {
52
+ ints.push_back((int) PT_GASPHASE);
53
+ entity_ptr->Serialize(this->dictionary, this->ints, this->doubles);
54
+ }
55
+ }
56
+ // Kinetics
57
+ {
58
+ cxxKinetics *entity_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_kinetics_map(), i);
59
+ if (entity_ptr)
60
+ {
61
+ ints.push_back((int) PT_KINETICS);
62
+ entity_ptr->Serialize(this->dictionary, this->ints, this->doubles);
63
+ }
64
+ }
65
+ // PPassemblages
66
+ {
67
+ cxxPPassemblage *entity_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_pp_assemblage_map(), i);
68
+ if (entity_ptr)
69
+ {
70
+ ints.push_back((int) PT_PPASSEMBLAGE);
71
+ entity_ptr->Serialize(this->dictionary, this->ints, this->doubles);
72
+ }
73
+ }
74
+ // SSassemblages
75
+ {
76
+ cxxSSassemblage *entity_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_ss_assemblage_map(), i);
77
+ if (entity_ptr)
78
+ {
79
+ ints.push_back((int) PT_SSASSEMBLAGE);
80
+ entity_ptr->Serialize(this->dictionary, this->ints, this->doubles);
81
+ }
82
+ }
83
+ // Surfaces
84
+ {
85
+ cxxSurface *entity_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_surface_map(), i);
86
+ if (entity_ptr)
87
+ {
88
+ ints.push_back((int) PT_SURFACES);
89
+ entity_ptr->Serialize(this->dictionary, this->ints, this->doubles);
90
+ }
91
+ }
92
+ // Temperature
93
+ if (include_t)
94
+ {
95
+ cxxTemperature *entity_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_temperature_map(), i);
96
+ if (entity_ptr)
97
+ {
98
+ ints.push_back((int) PT_TEMPERATURE);
99
+ entity_ptr->Serialize(this->dictionary, this->ints, this->doubles);
100
+ }
101
+ }
102
+ // Pressure
103
+ if (include_p)
104
+ {
105
+ cxxPressure *entity_ptr = Utilities::Rxn_find(phreeqc_ref.Get_Rxn_pressure_map(), i);
106
+ if (entity_ptr)
107
+ {
108
+ ints.push_back((int) PT_PRESSURE);
109
+ entity_ptr->Serialize(this->dictionary, this->ints, this->doubles);
110
+ }
111
+ }
112
+ }
113
+ return true;
114
+ }
115
+
116
+ bool
117
+ Serializer::Deserialize(Phreeqc &phreeqc_ref, Dictionary &dictionary, std::vector<int> &ints, std::vector<double> &doubles)
118
+ {
119
+ int ii = 0;
120
+ int dd = 0;
121
+ while (ii < (int) ints.size())
122
+ {
123
+ PACK_TYPE type = (PACK_TYPE) ints[ii++];
124
+ switch (type)
125
+ {
126
+ case PT_SOLUTION:
127
+ {
128
+ cxxSolution soln;
129
+ soln.Deserialize(dictionary, ints, doubles, ii, dd);
130
+ int n_user = soln.Get_n_user();
131
+ //std::cerr << "unpacked solution " << n_user << std::endl;
132
+ phreeqc_ref.Get_Rxn_solution_map()[n_user] = soln;
133
+ }
134
+ break;
135
+ case PT_EXCHANGE:
136
+ {
137
+ cxxExchange entity;
138
+ entity.Deserialize(dictionary, ints, doubles, ii, dd);
139
+ int n_user = entity.Get_n_user();
140
+ phreeqc_ref.Get_Rxn_exchange_map()[n_user] = entity;
141
+ }
142
+ break;
143
+ case PT_GASPHASE:
144
+ {
145
+ cxxGasPhase entity(phreeqc_ref.Get_phrq_io());
146
+ entity.Deserialize(dictionary, ints, doubles, ii, dd);
147
+ int n_user = entity.Get_n_user();
148
+ phreeqc_ref.Get_Rxn_gas_phase_map()[n_user] = entity;
149
+ }
150
+ break;
151
+ case PT_KINETICS:
152
+ {
153
+ cxxKinetics entity(phreeqc_ref.Get_phrq_io());
154
+ entity.Deserialize(dictionary, ints, doubles, ii, dd);
155
+ int n_user = entity.Get_n_user();
156
+ phreeqc_ref.Get_Rxn_kinetics_map()[n_user] = entity;
157
+ }
158
+ break;
159
+ case PT_PPASSEMBLAGE:
160
+ {
161
+ cxxPPassemblage entity;
162
+ entity.Deserialize(dictionary, ints, doubles, ii, dd);
163
+ int n_user = entity.Get_n_user();
164
+ //std::cerr << "unpacked pp assemblage " << n_user << std::endl;
165
+ phreeqc_ref.Get_Rxn_pp_assemblage_map()[n_user] = entity;
166
+ }
167
+ break;
168
+ case PT_SSASSEMBLAGE:
169
+ {
170
+ cxxSSassemblage entity(phreeqc_ref.Get_phrq_io());
171
+ entity.Deserialize(dictionary, ints, doubles, ii, dd);
172
+ int n_user = entity.Get_n_user();
173
+ phreeqc_ref.Get_Rxn_ss_assemblage_map()[n_user] = entity;
174
+ }
175
+ break;
176
+ case PT_SURFACES:
177
+ {
178
+ cxxSurface entity;
179
+ entity.Deserialize(dictionary, ints, doubles, ii, dd);
180
+ int n_user = entity.Get_n_user();
181
+ phreeqc_ref.Get_Rxn_surface_map()[n_user] = entity;
182
+ }
183
+ break;
184
+ case PT_TEMPERATURE:
185
+ {
186
+ cxxTemperature entity;
187
+ entity.Deserialize(dictionary, ints, doubles, ii, dd);
188
+ int n_user = entity.Get_n_user();
189
+ phreeqc_ref.Get_Rxn_temperature_map()[n_user] = entity;
190
+ }
191
+ break;
192
+ case PT_PRESSURE:
193
+ {
194
+ cxxPressure entity;
195
+ entity.Deserialize(dictionary, ints, doubles, ii, dd);
196
+ int n_user = entity.Get_n_user();
197
+ phreeqc_ref.Get_Rxn_pressure_map()[n_user] = entity;
198
+ }
199
+ break;
200
+ default:
201
+ #if !defined(R_SO)
202
+ std::cerr << "Unknown pack type in deserialize " << type << std::endl;
203
+ exit(4);
204
+ #else
205
+ std::ostringstream oss;
206
+ oss << "Unknown pack type in deserialize " << type << std::endl;
207
+ phreeqc_ref.error_msg(oss.str().c_str(), STOP);
208
+ #endif
209
+ break;
210
+ }
211
+ }
212
+ return true;
213
+ }
@@ -0,0 +1,42 @@
1
+ #if !defined(SERIALIZER_H_INCLUDED)
2
+ #define SERIALIZER_H_INCLUDED
3
+ #include <iostream>
4
+ #include <map>
5
+ #include <vector>
6
+ #include <sstream>
7
+ #include "PHRQ_base.h"
8
+ #include "Dictionary.h"
9
+ class Phreeqc;
10
+ class Serializer : public PHRQ_base
11
+ {
12
+ public:
13
+ Serializer(PHRQ_io *io = NULL);
14
+ ~Serializer(void);
15
+
16
+ enum PACK_TYPE
17
+ {
18
+ PT_SOLUTION = 0,
19
+ PT_EXCHANGE = 1,
20
+ PT_GASPHASE = 2,
21
+ PT_KINETICS = 3,
22
+ PT_PPASSEMBLAGE = 4,
23
+ PT_SSASSEMBLAGE = 5,
24
+ PT_SURFACES = 6,
25
+ PT_TEMPERATURE = 7,
26
+ PT_PRESSURE = 8
27
+ };
28
+ bool Serialize(Phreeqc &phreeqc_ptr, int start, int end, bool include_t, bool include_p, PHRQ_io *io = NULL);
29
+ bool Deserialize(Phreeqc &phreeqc_ptr, Dictionary &dictionary, std::vector<int> &ints, std::vector<double> &doubles);
30
+ Dictionary &GetDictionary(void) {return this->dictionary;}
31
+ std::vector<int> &GetInts(void) {return this->ints;}
32
+ std::vector<double> &GetDoubles(void) {return this->doubles;}
33
+ //std::string &GetWordsString(void) {return this->words_string;}
34
+
35
+
36
+ protected:
37
+ std::vector<int> ints;
38
+ std::vector<double> doubles;
39
+ //std::string words_string;
40
+ Dictionary dictionary;
41
+ };
42
+ #endif // !defined(SERIALIZER_H_INCLUDED)