245 Commits

Author SHA1 Message Date
David L Parkhurst
02ab5c208c Finished PPassemblage and Reaction P_INSTANCE removal.
Removed some commented PHREEQC_PTR_ARG from headers.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5652 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 19:59:49 +00:00
David L Parkhurst
2dab6f8ed8 Removed PHREEQC_PTR_ARG from gas phase and temperature.
Removed commented PHREEQC_PTR from some of the header files.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5651 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 17:15:14 +00:00
David L Parkhurst
06f4e08ecf Finished with Exchange removing all P_INSTANCE I think.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5650 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 15:54:10 +00:00
David L Parkhurst
7c9913195a Worked through kinetics to remove PHREEQC_PTR.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5649 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-26 22:56:22 +00:00
David L Parkhurst
12d62e8e54 Removed P_INSTANCE for error_msg, which removed entirely from
some methods.

Began moving xx2struct into phreeqc from class definitions.

First moved was cxxMix2mix to structures.c.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5648 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-26 20:24:17 +00:00
David L Parkhurst
b7729cf254 Changed all check of input_error to get_input_errors for phreeqc.
Started removing PHREEQC_PTR and P_INSTANCE. Redid all read_raw.

Breaks some echoing or printing of output. Need to check why.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5646 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-23 22:33:19 +00:00
David L Parkhurst
50b369a294 Compiles all configurations of phreeqcpp.vcproj
Does not use callbacks.

Uses phrq_io instance of PHRQ_io.

I am sure it will not compile as plain phreeqc without modification.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5640 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-22 00:08:29 +00:00
David L Parkhurst
02797e6934 Added PHRQ_base and PHRQ_io to project.
PHRQ_base has not been added to the C++ classes yet.

PHRQ_io is implemented enough to run. Need to work on 
reimplementing logic by moving some things that were in
phreeqc_files.cpp (now implemented as PHRQ_io class) to PHRQ_io_output, which is derived from output.cpp.

PHRQ_io_output has methods of Phreeqc class and knows the data in the phreeqc class. PHRQ_io does not know about the phreeqc class.

The ifdef USE_OLD_IO should cause io to revert to the old way of doing it. 

I have only worked on ClrClass_debug to now.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5627 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-08 23:07:14 +00:00
David L Parkhurst
ae170dc366 Removing CHART compile option, replaced by MULTICHART.
Removing Form1.h, chart.cpp. Will move Form2.h to form1.h.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5557 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-08-08 16:09:57 +00:00
David L Parkhurst
cd41ca9566 Removed some header files from phreeqc.h.
Moved one header to kinetics.c

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5475 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-07-12 23:28:36 +00:00
David L Parkhurst
4e02d925b8 Guarded ChartHandler.h in Phreeqc.h.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5474 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-07-12 21:54:34 +00:00
David L Parkhurst
865cdad9bb missed list_s_s prototype for class
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5473 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-07-12 21:40:28 +00:00
David L Parkhurst
646207fac8 Added phase_formula function.
Fixed some of the initializations for keywords, was missing the initial count. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5466 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-07-11 23:32:47 +00:00
David L Parkhurst
2c906a0653 Fixed missing reaction_modify in Class version
Added solid_solution_modify synonym.

Added dialog for saving curve data.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5455 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-06-24 16:05:30 +00:00
David L Parkhurst
2a491b71a4 merged MULTICHART branch back to trunk
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5365 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-05-04 00:24:40 +00:00
David L Parkhurst
cd87eed340 Added some LDBLE, particularly for pow().
Added some methods, mostly getter methods.

Was calculating maximup precipitation for mineral based on limiting element in step.c. Not sure if I will used this or not. Not checking in at this time. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5322 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-04-14 21:22:09 +00:00
David L Parkhurst
16c2689a8a Fixed adjustments of activities after solution_modify. Better treatment of redox states; bug in get_total_element.
Rewrote error.inp printout.

Rewrote cxxStorageBin constructor from use structure. 

Added reaction, temperature, and mix to StorageBin dump_raw.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5281 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-03-31 17:15:59 +00:00
David L Parkhurst
e746bb8e07 Added code to adjust activities of master species in solution when totals are adjusted by SOLUTION_MODIFY.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5270 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-03-30 19:21:36 +00:00
David L Parkhurst
6f9a13b106 Redid include as include$.
Have rewritten get_line, but need to redo the parser get_line.

Works on include test case. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4987 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-12-21 17:24:00 +00:00
David L Parkhurst
75e0df6e1a Through REACTION_MODIFY and REACTION_RAW.
Added REACTION_MODIFY for completeness.

Fixed bugs in ReadClass.cxx where alpha for id number 
caused an endless loop.

Also fixed some error messages where line_save was no
longer meaningful.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4857 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-09-30 22:18:39 +00:00
David L Parkhurst
8b69f05ff9 Added missing -dw parameters for MgCO3, MgHCO3,
and MgSO4 aqueous species.

Changed indentation for llnl parameters in model.c

Added capability to include files within the input
        file. Files included in include files are also 
        included. Files are included verbatim and need not
        contain complete keyword datablocks; however, the
        combination of included files must result in a
        legal PHREEQC input file.

#$include file_name

Updated #$include to work with all configurations. Added
MERGE_INCLUDE_FILES define to all configurations of 
phreeqcpp.

Updated phreeqc and phreeqcpp revisions.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4843 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-09-27 17:18:03 +00:00
David L Parkhurst
f41c9446bf Redid capability to include input files using #include fn.
Now process database and input files into streams in process_file_names. Uses alternate getc from streams to
read the streams. 

I have not set the necessary #define MERGE_INCLUDE_FILES to
implement the new capability. Also requires #define PHREEQC_CLASS.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4816 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-09-15 19:03:43 +00:00
David L Parkhurst
619dc25cde Modified merging #include files to use file pointer instead
of stream. 

Now closes original input file and replaces cookie (file pointer) with the merged input file pointer, which is a temporary file. It should get closed at the end of the run and disappear.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4814 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-09-14 21:09:45 +00:00
David L Parkhurst
fd55082c6b wrote code to allow files to be included recursively in the
main input file.

Need to compile with MERGE_INCLUDE_FILES defined.

creates a new input file with all include files merged.

Syntax for include files is #include file_name (include may
be upper or lower case).

Want to make a temporary input file to avoid having to find
a place to write. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4813 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-09-14 20:23:22 +00:00
David L Parkhurst
1b6f05cd41 Works for class,
need to split up initialization for static variables.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4695 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-08-04 19:05:17 +00:00
David L Parkhurst
1e9f6e5760 Fixed up charting changes for class version.
Left SKIPped 2 digit exponents in mainsubs.c.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4595 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-06-30 00:39:34 +00:00
David L Parkhurst
0b4092e13b Still need to work on Form1 to pass a phreeqc instance.
Removed Void definition in p2c, and changed all references to just void.

Moved all structures, globals, and prototypes to global_structures.h, global.h, and Phreeqc.h.

Initialized chart variables in Phreeqc.cpp.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4552 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-06-17 20:17:08 +00:00
Scott R Charlton
5b8e7fdfbd added output_message prototype to output.h
removed prototype from phreeqcpp/Phreeqc.h and phreeqcpp/phreeqc/print.c

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4388 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-05-13 00:19:31 +00:00
Scott R Charlton
e1b52e15f2 reworking output_message prototype
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4386 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-05-12 23:40:05 +00:00
David L Parkhurst
09bf8787f8 deleted unused variables sit_remove_unstable_phases and pitzer_remove_unstable_phases.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4380 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-05-11 22:48:52 +00:00
Scott R Charlton
0833d79ec1 changed svn:eol-style to native for many files
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4276 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-04-21 05:29:27 +00:00
Scott R Charlton
7ca9917f8d Remove from unit:
TestInterface.cpp
	TestInterface.h
		IPhreeqc.hpp
		IPhreeqc.h
		IPhreeqc.cpp
		module_output.cpp
		module_files.cpp
		fwrap.cpp
		fwrap2.cpp
		fwrap3.cpp
		IPhreeqc.cpp
		CVar.hxx
		ErrorReporter.hxx
		OutputFiles.hxx
		Phreeqc.hxx
		PhreeqcParser.hxx
		SelectedOutput.hxx
		Var.h
Remove from IPhreeqc
	IPhreeqc.cpp
	IPhreeqc.h
	IPhreeqc.hpp
	module_output.cpp
	module_files.cpp


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4213 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-04-06 20:56:38 +00:00
Scott R Charlton
adcd44474b passes all tests on win32; before changing to multiple instances
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4201 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-04-02 00:14:16 +00:00
David L Parkhurst
8db3c1ac28 Added prototypes to class for Basic functions:
total_mole
iso_value
iso_unit


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4198 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-03-29 22:15:30 +00:00
David L Parkhurst
4eb0dbc99b list_components method to extract complete list of elements in all solutions, equilibrium_phases, etc that are currently defined within the object.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4171 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-03-18 20:48:39 +00:00
Scott R Charlton
a22a6db097 need to test on linux
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4165 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-03-18 03:21:45 +00:00
Scott R Charlton
e245f8afa0 Updated for IPhreeqc to use PHREEQC_CPP and PHREEQC_CLASS. Currently doesn't include gmp. MemDebug project still needs work. Needs to be tested on linux.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4145 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-03-05 21:20:09 +00:00
David L Parkhurst
7b777201e2 Added viscosity function for SC at temperature.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4007 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-02-04 20:03:02 +00:00
David L Parkhurst
ef46b2f30e Fixed remove_unstable_phases for class
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3988 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-02-01 22:59:19 +00:00
David L Parkhurst
65ff0a9456 Fixed Makefile on Linux to make class version.
Added eol and other changes for linux.

Had statics in ReadClass.cxx, removed.

Problems with .dmp files. May be because of statics.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3879 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 23:58:06 +00:00
David L Parkhurst
9f4eefd214 Made all the changes to add phreeqc pointer as argument to
Phreeqcpp class methods.

Still compiles on Debug and Release, but problem with
phrq_malloc in cvdense and cvode.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 18:09:39 +00:00
David L Parkhurst
157e5cc729 Slowly adding arguments and qualifiers to pass phreeqc class instance to routines that need it.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3873 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 00:56:50 +00:00
David L Parkhurst
6859605bc2 Debug and release compile.
Rearranged pitaer.h creating pitzer_structures.h.

Need to figure out conversion routines from C++ classes to C structures.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3869 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-07 21:33:07 +00:00
David L Parkhurst
0a91aa5bec phreeqcpp (nonclass) compiles.
SSassemblage.cxx compiles, but need to work on header files.

Need to fix header files throughout.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3865 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-04 22:47:55 +00:00
David L Parkhurst
b33830cc5c Moving class_main, phreeqc.cpp and phreeqc.h into phreeqcpp.sln
Making a new configuration for compilation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3850 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-03 19:24:14 +00:00