pyEQL 1.4.0rc9__cp311-cp311-macosx_10_9_x86_64.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (491) hide show
  1. pyEQL/__init__.py +50 -0
  2. pyEQL/_phreeqc.cpython-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
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  48. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/IPhreeqc.dir/src/IPhreeqcLib.cpp.o +0 -0
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  371. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.cpp +115 -0
  372. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.h +209 -0
  373. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.cxx +213 -0
  374. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.h +42 -0
  375. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.cxx +1795 -0
  376. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.h +154 -0
  377. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.cxx +333 -0
  378. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.h +85 -0
  379. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.cxx +1507 -0
  380. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.h +141 -0
  381. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.cpp +358 -0
  382. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.h +81 -0
  383. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.cxx +837 -0
  384. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.h +108 -0
  385. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.cxx +617 -0
  386. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.h +137 -0
  387. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.cxx +509 -0
  388. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.h +70 -0
  389. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.cxx +103 -0
  390. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.h +89 -0
  391. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.cxx +423 -0
  392. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.h +42 -0
  393. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.cpp +78 -0
  394. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.h +159 -0
  395. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.cpp +32 -0
  396. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.h +39 -0
  397. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ZedGraph.dll +0 -0
  398. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/advection.cpp +140 -0
  399. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/basicsubs.cpp +4333 -0
  400. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cl1.cpp +881 -0
  401. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.cxx +117 -0
  402. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.h +48 -0
  403. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_exports.h +20 -0
  404. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.cpp +914 -0
  405. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.h +207 -0
  406. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.cxx +1331 -0
  407. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.h +310 -0
  408. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.cxx +263 -0
  409. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.h +29 -0
  410. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/phrqtype.h +18 -0
  411. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.cpp +566 -0
  412. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvdense.h +267 -0
  413. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.cpp +3939 -0
  414. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.h +940 -0
  415. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.cxx +617 -0
  416. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.h +78 -0
  417. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.cxx +154 -0
  418. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.h +58 -0
  419. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.cpp +175 -0
  420. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.h +341 -0
  421. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.cpp +277 -0
  422. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.h +60 -0
  423. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/gases.cpp +748 -0
  424. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/global_structures.h +1672 -0
  425. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/input.cpp +133 -0
  426. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/integrate.cpp +1219 -0
  427. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/inverse.cpp +5135 -0
  428. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/isotopes.cpp +1813 -0
  429. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/kinetics.cpp +3180 -0
  430. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/mainsubs.cpp +2320 -0
  431. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/model.cpp +5843 -0
  432. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.cpp +272 -0
  433. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.h +485 -0
  434. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.cpp +1032 -0
  435. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.h +369 -0
  436. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/parse.cpp +1044 -0
  437. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.cpp +316 -0
  438. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.h +47 -0
  439. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer.cpp +2709 -0
  440. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer_structures.cpp +225 -0
  441. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/prep.cpp +6267 -0
  442. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/print.cpp +3673 -0
  443. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/read.cpp +10245 -0
  444. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/readtr.cpp +1495 -0
  445. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.cpp +158 -0
  446. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/runner.h +33 -0
  447. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sit.cpp +1684 -0
  448. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.cpp +324 -0
  449. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.h +261 -0
  450. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/spread.cpp +1309 -0
  451. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/step.cpp +1566 -0
  452. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/structures.cpp +3381 -0
  453. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.cpp +133 -0
  454. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.h +162 -0
  455. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialstypes.h +183 -0
  456. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tally.cpp +1288 -0
  457. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tidy.cpp +5600 -0
  458. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/transport.cpp +6403 -0
  459. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/utilities.cpp +1339 -0
  460. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/thread.h +64 -0
  461. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/CMakeLists.txt +133 -0
  462. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.am +45 -0
  463. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/Makefile.in +1128 -0
  464. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/ex2.in +26 -0
  465. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main.f90 +31 -0
  466. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main77.f +6 -0
  467. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/main_fortran.cxx +8 -0
  468. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/phreeqc.dat.in +1556 -0
  469. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_c.c +148 -0
  470. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_cxx.cxx +152 -0
  471. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/test_f90.F90 +328 -0
  472. pyEQL/phreeqc/iphreeqc_wrapper.cpp +75 -0
  473. pyEQL/phreeqc/solution.py +74 -0
  474. pyEQL/phreeqc/var.py +50 -0
  475. pyEQL/presets/Ringers lactate.yaml +20 -0
  476. pyEQL/presets/__init__.py +17 -0
  477. pyEQL/presets/normal saline.yaml +17 -0
  478. pyEQL/presets/rainwater.yaml +17 -0
  479. pyEQL/presets/seawater.yaml +29 -0
  480. pyEQL/presets/urine.yaml +26 -0
  481. pyEQL/presets/wastewater.yaml +21 -0
  482. pyEQL/py.typed +0 -0
  483. pyEQL/salt_ion_match.py +112 -0
  484. pyEQL/solute.py +163 -0
  485. pyEQL/solution.py +2714 -0
  486. pyEQL/utils.py +237 -0
  487. pyeql-1.4.0rc9.dist-info/METADATA +130 -0
  488. pyeql-1.4.0rc9.dist-info/RECORD +491 -0
  489. pyeql-1.4.0rc9.dist-info/WHEEL +6 -0
  490. pyeql-1.4.0rc9.dist-info/licenses/AUTHORS.md +21 -0
  491. pyeql-1.4.0rc9.dist-info/licenses/LICENSE.txt +20 -0
@@ -0,0 +1,411 @@
1
+ #include <assert.h>
2
+ #include "Phreeqc.h"
3
+ #include "phqalloc.h"
4
+
5
+ #if defined(PHREEQCI_GUI)
6
+ #ifdef _DEBUG
7
+ #define new DEBUG_NEW
8
+ #undef THIS_FILE
9
+ static char THIS_FILE[] = __FILE__;
10
+ #endif
11
+ #endif
12
+
13
+ /* ---------------------------------------------------------------------- */
14
+ int Phreeqc::
15
+ warning_msg(const char *err_str)
16
+ /* ---------------------------------------------------------------------- */
17
+ {
18
+ if (state == TRANSPORT && transport_warnings == FALSE)
19
+ return (OK);
20
+ if (state == ADVECTION && advection_warnings == FALSE)
21
+ return (OK);
22
+ count_warnings++;
23
+ if (pr.warnings >= 0)
24
+ {
25
+ if (count_warnings > pr.warnings)
26
+ return (OK);
27
+ }
28
+ if (phrq_io)
29
+ {
30
+ if (status_on)
31
+ {
32
+ phrq_io->screen_msg("\n");
33
+ }
34
+ std::ostringstream msg;
35
+ msg << "WARNING: " << err_str;
36
+ phrq_io->warning_msg(msg.str().c_str());
37
+ status_on = false;
38
+ }
39
+
40
+ return OK;
41
+ }
42
+
43
+ /* ---------------------------------------------------------------------- */
44
+ void Phreeqc::
45
+ echo_msg(const char *str)
46
+ /* ---------------------------------------------------------------------- */
47
+ {
48
+ if (pr.echo_input == TRUE)
49
+ {
50
+ if (phrq_io) phrq_io->echo_msg(str);
51
+ }
52
+ }
53
+
54
+ /* ---------------------------------------------------------------------- */
55
+ void Phreeqc::
56
+ set_forward_output_to_log(int value)
57
+ /* ---------------------------------------------------------------------- */
58
+ {
59
+ forward_output_to_log = value;
60
+ }
61
+
62
+ /* ---------------------------------------------------------------------- */
63
+ int Phreeqc::
64
+ get_forward_output_to_log(void)
65
+ /* ---------------------------------------------------------------------- */
66
+ {
67
+ return forward_output_to_log;
68
+ }
69
+
70
+ void Phreeqc::
71
+ fpunchf_heading(const char *name)
72
+ {
73
+ if (pr.punch == TRUE && current_selected_output != NULL)
74
+ {
75
+ punch_msg(name);
76
+ }
77
+ }
78
+ void Phreeqc::
79
+ fpunchf(const char *name, const char *format, double d)
80
+ {
81
+ try
82
+ {
83
+ if (phrq_io) phrq_io->fpunchf(name, format, d);
84
+ }
85
+ catch(const std::bad_alloc&)
86
+ {
87
+ malloc_error();
88
+ }
89
+ }
90
+ void Phreeqc::
91
+ fpunchf(const char *name, const char *format, char * s)
92
+ {
93
+ try
94
+ {
95
+ if (phrq_io) phrq_io->fpunchf(name, format, s);
96
+ }
97
+ catch(const std::bad_alloc&)
98
+ {
99
+ malloc_error();
100
+ }
101
+ }
102
+ void Phreeqc::
103
+ fpunchf(const char *name, const char *format, int d)
104
+ {
105
+ try
106
+ {
107
+ if (phrq_io) phrq_io->fpunchf(name, format, d);
108
+ }
109
+ catch(const std::bad_alloc&)
110
+ {
111
+ malloc_error();
112
+ }
113
+ }
114
+
115
+ void Phreeqc::
116
+ fpunchf_user(int user_index, const char *format, double d)
117
+ {
118
+ const char *name;
119
+
120
+ if (current_user_punch == NULL)
121
+ return;
122
+ // check headings
123
+ //if (user_index < user_punch_count_headings)
124
+ int user_punch_count_headings = (int) current_user_punch->Get_headings().size();
125
+ if (user_index < user_punch_count_headings)
126
+ {
127
+ //name = user_punch_headings[user_index];
128
+ name = current_user_punch->Get_headings()[user_index].c_str();
129
+ }
130
+ else
131
+ {
132
+ if (fpunchf_user_s_warning == 0)
133
+ {
134
+ error_string = sformatf(
135
+ "USER_PUNCH: Headings count does not match number of calls to PUNCH.\n");
136
+ warning_msg(error_string);
137
+ fpunchf_user_s_warning = 1;
138
+ }
139
+ snprintf(fpunchf_user_buffer, sizeof(fpunchf_user_buffer), "no_heading_%d",
140
+ (user_index - user_punch_count_headings) + 1);
141
+ name = fpunchf_user_buffer;
142
+ }
143
+ try
144
+ {
145
+ if (phrq_io) phrq_io->fpunchf(name, format, (double) d);
146
+ }
147
+ catch(const std::bad_alloc&)
148
+ {
149
+ malloc_error();
150
+ }
151
+ }
152
+
153
+ void Phreeqc::
154
+ fpunchf_user(int user_index, const char *format, char * d)
155
+ {
156
+ const char *name;
157
+
158
+ if (current_user_punch == NULL)
159
+ return;
160
+ int user_punch_count_headings = (int) current_user_punch->Get_headings().size();
161
+ // check headings
162
+ if (user_index < user_punch_count_headings)
163
+ {
164
+ //name = user_punch_headings[user_index];
165
+ name = current_user_punch->Get_headings()[user_index].c_str();
166
+ }
167
+ else
168
+ {
169
+ if (fpunchf_user_s_warning == 0)
170
+ {
171
+ error_string = sformatf(
172
+ "USER_PUNCH: Headings count does not match number of calls to PUNCH.\n");
173
+ warning_msg(error_string);
174
+ fpunchf_user_s_warning = 1;
175
+ }
176
+ snprintf(fpunchf_user_buffer, sizeof(fpunchf_user_buffer), "no_heading_%d",
177
+ (user_index - user_punch_count_headings) + 1);
178
+ name = fpunchf_user_buffer;
179
+ }
180
+ try
181
+ {
182
+ if (phrq_io) phrq_io->fpunchf(name, format, d);
183
+ }
184
+ catch(const std::bad_alloc&)
185
+ {
186
+ malloc_error();
187
+ }
188
+ }
189
+
190
+ int Phreeqc::
191
+ fpunchf_end_row(const char *format)
192
+ {
193
+ if (phrq_io)
194
+ {
195
+ phrq_io->fpunchf_end_row(format);
196
+ }
197
+ return OK;
198
+ }
199
+ /* ---------------------------------------------------------------------- */
200
+ void Phreeqc::
201
+ screen_msg(const char *err_str)
202
+ /* ---------------------------------------------------------------------- */
203
+ {
204
+ #ifndef TESTING
205
+ if (phrq_io) phrq_io->screen_msg(err_str);
206
+ #endif
207
+ }
208
+ // ---------------------------------------------------------------------- */
209
+ // dump file methods
210
+ // ---------------------------------------------------------------------- */
211
+
212
+ /* ---------------------------------------------------------------------- */
213
+ bool Phreeqc::
214
+ dump_open(const char *file_name)
215
+ /* ---------------------------------------------------------------------- */
216
+ {
217
+ if (phrq_io)
218
+ return this->phrq_io->dump_open(file_name);
219
+ return false;
220
+ }
221
+ /* ---------------------------------------------------------------------- */
222
+ void Phreeqc::
223
+ dump_flush(void)
224
+ /* ---------------------------------------------------------------------- */
225
+ {
226
+ if (phrq_io) this->phrq_io->dump_flush();
227
+ }
228
+ /* ---------------------------------------------------------------------- */
229
+ void Phreeqc::
230
+ dump_close(void)
231
+ /* ---------------------------------------------------------------------- */
232
+ {
233
+ if (phrq_io) this->phrq_io->dump_close();
234
+ }
235
+
236
+ /* ---------------------------------------------------------------------- */
237
+ void Phreeqc::
238
+ dump_msg(const char * str)
239
+ /* ---------------------------------------------------------------------- */
240
+ {
241
+ if (phrq_io) this->phrq_io->dump_msg(str);
242
+ }
243
+ // ---------------------------------------------------------------------- */
244
+ // error file methods
245
+ // ---------------------------------------------------------------------- */
246
+
247
+ /* ---------------------------------------------------------------------- */
248
+ bool Phreeqc::
249
+ error_open(const char *file_name)
250
+ /* ---------------------------------------------------------------------- */
251
+ {
252
+ if (phrq_io)
253
+ return this->phrq_io->error_open(file_name);
254
+ return false;
255
+ }
256
+ /* ---------------------------------------------------------------------- */
257
+ void Phreeqc::
258
+ error_flush(void)
259
+ /* ---------------------------------------------------------------------- */
260
+ {
261
+ if (phrq_io) this->phrq_io->error_flush();
262
+ }
263
+ /* ---------------------------------------------------------------------- */
264
+ void Phreeqc::
265
+ error_close(void)
266
+ /* ---------------------------------------------------------------------- */
267
+ {
268
+ if (phrq_io) this->phrq_io->error_close();
269
+ }
270
+
271
+ /* ---------------------------------------------------------------------- */
272
+ void Phreeqc::
273
+ error_msg(const char *err_str, bool stop)
274
+ /* ---------------------------------------------------------------------- */
275
+ {
276
+ if (get_input_errors() <= 0)
277
+ input_error = 1;
278
+ if (phrq_io)
279
+ {
280
+ std::ostringstream msg;
281
+ msg << "ERROR: " << err_str << "\n";
282
+
283
+ phrq_io->output_msg(msg.str().c_str());
284
+ phrq_io->log_msg(msg.str().c_str());
285
+
286
+ if (status_on)
287
+ {
288
+ phrq_io->screen_msg("\n");
289
+ }
290
+ status_on = false;
291
+ phrq_io->error_msg(msg.str().c_str(), stop);
292
+ }
293
+
294
+ if (stop)
295
+ {
296
+ throw PhreeqcStop();
297
+ }
298
+ }
299
+ // ---------------------------------------------------------------------- */
300
+ // log file methods
301
+ // ---------------------------------------------------------------------- */
302
+
303
+ /* ---------------------------------------------------------------------- */
304
+ bool Phreeqc::
305
+ log_open(const char *file_name)
306
+ /* ---------------------------------------------------------------------- */
307
+ {
308
+ if (phrq_io)
309
+ return this->phrq_io->log_open(file_name);
310
+ return false;
311
+ }
312
+ /* ---------------------------------------------------------------------- */
313
+ void Phreeqc::
314
+ log_flush(void)
315
+ /* ---------------------------------------------------------------------- */
316
+ {
317
+ if (phrq_io) this->phrq_io->log_flush();
318
+ }
319
+ /* ---------------------------------------------------------------------- */
320
+ void Phreeqc::
321
+ log_close(void)
322
+ /* ---------------------------------------------------------------------- */
323
+ {
324
+ if (phrq_io) this->phrq_io->log_close();
325
+ }
326
+
327
+ /* ---------------------------------------------------------------------- */
328
+ void Phreeqc::
329
+ log_msg(const char * str)
330
+ /* ---------------------------------------------------------------------- */
331
+ {
332
+ if (phrq_io) this->phrq_io->log_msg(str);
333
+ }
334
+ // ---------------------------------------------------------------------- */
335
+ // output_temp file methods
336
+ // ---------------------------------------------------------------------- */
337
+
338
+ /* ---------------------------------------------------------------------- */
339
+ bool Phreeqc::
340
+ output_open(const char *file_name)
341
+ /* ---------------------------------------------------------------------- */
342
+ {
343
+ if (phrq_io)
344
+ return this->phrq_io->output_open(file_name);
345
+ return false;
346
+ }
347
+ /* ---------------------------------------------------------------------- */
348
+ void Phreeqc::
349
+ output_flush(void)
350
+ /* ---------------------------------------------------------------------- */
351
+ {
352
+ if (phrq_io) this->phrq_io->output_flush();
353
+ }
354
+ /* ---------------------------------------------------------------------- */
355
+ void Phreeqc::
356
+ output_close(void)
357
+ /* ---------------------------------------------------------------------- */
358
+ {
359
+ if (phrq_io) this->phrq_io->output_close();
360
+ }
361
+ /* ---------------------------------------------------------------------- */
362
+ void Phreeqc::
363
+ output_msg(const char * str)
364
+ /* ---------------------------------------------------------------------- */
365
+ {
366
+ if (phrq_io)
367
+ {
368
+ if (get_forward_output_to_log())
369
+ {
370
+ phrq_io->log_msg(str);
371
+ }
372
+ else
373
+ {
374
+ phrq_io->output_msg(str);
375
+ }
376
+ }
377
+ }
378
+ // ---------------------------------------------------------------------- */
379
+ // punch file methods
380
+ // ---------------------------------------------------------------------- */
381
+
382
+ /* ---------------------------------------------------------------------- */
383
+ bool Phreeqc::
384
+ punch_open(const char *file_name, int n_user)
385
+ /* ---------------------------------------------------------------------- */
386
+ {
387
+ if (phrq_io)
388
+ return this->phrq_io->punch_open(file_name, std::ios_base::out, n_user);
389
+ return false;
390
+ }
391
+ /* ---------------------------------------------------------------------- */
392
+ void Phreeqc::
393
+ punch_flush(void)
394
+ /* ---------------------------------------------------------------------- */
395
+ {
396
+ if (phrq_io) this->phrq_io->punch_flush();
397
+ }
398
+ /* ---------------------------------------------------------------------- */
399
+ void Phreeqc::
400
+ punch_close(void)
401
+ /* ---------------------------------------------------------------------- */
402
+ {
403
+ if (phrq_io) this->phrq_io->punch_close();
404
+ }
405
+ /* ---------------------------------------------------------------------- */
406
+ void Phreeqc::
407
+ punch_msg(const char * str)
408
+ /* ---------------------------------------------------------------------- */
409
+ {
410
+ if (phrq_io) this->phrq_io->punch_msg(str);
411
+ }