41 Commits

Author SHA1 Message Date
David L Parkhurst
03dcbf8eee Added Simplify_totals method and
Update method to aid in PHAST implementation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5687 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-13 22:37:06 +00:00
David L Parkhurst
58c0e3f7c8 Added optional argument to dump_raw to a different user number.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5680 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-05 17:20:16 +00:00
David L Parkhurst
fe9f31443e Replaced modify_activities so that PHREEQC instance is not needed.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5677 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-04 21:32:25 +00:00
David L Parkhurst
6acf05a1a0 Removed ORCHESTRA
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5658 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-28 22:30:46 +00:00
David L Parkhurst
4d728afcbe Removed MOVE_TO_STRUCTURES ifdefs.
Removed most SKIP ifdefs

ran test cases OK.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5657 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-28 20:25:20 +00:00
David L Parkhurst
9561576af7 Finished SSassemblage.cxx
Cleaned up other files some.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5655 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 23:36:52 +00:00
David L Parkhurst
62a55134be Worked through solution removing PHREEQC_PTR_ARG.
More cleaning up to do.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5653 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 21:18:38 +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
7eeeab4569 all classes inherit from PHRQ_base, except
NameDouble, StorageBinListItem.

NumKeyword inherits from PHRQ_base, others inherit NumKeyword.

ChartHandler and ChartObject inherit from PHRQ_base.

CurveObject does not inherit from PHRQ_base.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5637 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-20 20:05:43 +00:00
David L Parkhurst
aba479648c Added file_on variables to PHRQ_io.
Set dump, log, and punch file_on variables whereever
pr.dump, pr.log, and pr.punch were set in PHREEQC.

Added base class to Solution, ISolution, and StorageBin. Required a PHRQ_io in the constructor to find all places they were constructed.

Need to do the same to all other classes (Exchange, Surface, NameDouble, etc.)

Then need to take PHREEQC instance out of parser and fix all places a parser is constructed.

Need to move phreeqc2class constructors to phreeqc.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5628 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-09 22:05:32 +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
4b31197710 Redid modifications for hidden variables using l_ prefix.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4674 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-07-21 00:18:01 +00:00
Scott R Charlton
bf1e9bfff6 fixed hiding variables
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4640 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-07-15 21:53:09 +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
2b76f04a8b Cleaned up header files to remove unnecessary includes of .h files. Moved includes to source code where possible.
Moved some methods for .h to source files to avoid need for includes.

Debug and Release compile. 

Still need to get class version working. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3868 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-07 19:49:38 +00:00
Scott R Charlton
07d5fa7413 merged 3750-3846 of plusify; system.cxx and system.h need to be formated
removed char * and used std::string's and std::map's

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3847 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-03 01:49:56 +00:00
David L Parkhurst
6ca3a6d3b2 Added the suite of modify keywords:
SOLUTION_MODIFY
	EQUILIBRIUM_PHASES_MODIFY
	EXCHANGE_MODIFY
	SURFACE_MODIFY
	SOLID_SOLUTIONS_MODIFY
	GAS_PHASE_MODIFY
	KINETICS_MODIFY

May now revisit dump to add a delete capability.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3714 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-21 19:40:43 +00:00
David L Parkhurst
d37ed2c6ae indented header files.
removed ^M from System.h





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3169 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-10-31 15:32:53 +00:00
David L Parkhurst
37b1add946 Ifdef'd ORCHESTRA.
Added lines at end of files.

Ran test cases, a few had changes from format and Tony.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2182 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-16 19:49:38 +00:00
David L Parkhurst
7ab1e21ce7 Works with reaction calculation of pure phase equilibrium.
Worked out relation between phreeqc components H,O,charge and Orchestra H+, e-, H2O.

It's a lot of code and still have not implemented SURFACE, EXCHANGE, GAS_PHASE,

much les KINETICS.

Convergence problem when including pyrite.

Also have REACTION (REQCTION_TEMP?);

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2181 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-16 18:51:35 +00:00
David L Parkhurst
c78dd87daf Have version working that formats an input file for Orchestra, runs Orchestra with a system call to a batch file, reads results from Orchestra, stores results in global phreeqc storage, and prints results.
Works only for initial solution calculation.

Still some problems with the solver. Ex1 fails.

Cleaned up organization a little. Ready to start on "reaction" calculation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2176 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-07 15:04:13 +00:00
David L Parkhurst
0f2ef116f2 Have version working that formats an input file for Orchestra, runs Orchestra with a system call to a batch file, reads results from Orchestra, stores results in global phreeqc storage, and prints results.
Works only for initial solution calculation.

Still some problems with the solver. Ex1 fails.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2167 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-07-31 19:07:25 +00:00
David L Parkhurst
ea61d055f0 Can read a solution result from Orchestra.cxx
Now will write routines to put results into unknown structures so that results can be printed.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2166 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-07-30 15:07:20 +00:00
David L Parkhurst
1848045bd9 Added new functions to allow multiply.
Now multiply to account for changes in pore volume due to
storage.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2098 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-06-21 19:50:55 +00:00
David L Parkhurst
4145b60e10 Fixes for cxx version of xsolution_save (constructor(n_user))
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2066 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-06-04 19:25:10 +00:00
David L Parkhurst
a7a19e57f4 Still has problems, but roughed in xsolution_save and xexchange_save
as constructor methods for Solution and Exchange.
Takes c storage and makes C++ objects after a calculation.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2062 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-05-31 21:59:00 +00:00
David L Parkhurst
7830f46d8d Merged 1727 through 2055 from orchestra/phreeqcpp_for_orch into phreeeqcpp trunk
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2057 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-05-30 23:43:59 +00:00
David L Parkhurst
2b442eef30 git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1723 1feff8c3-07ed-0310-ac33-dd36852eb9cd 2007-01-30 01:34:18 +00:00
David L Parkhurst
93a7759e1b Beginning to revise cpp classes.
Have worked on mixing solutions.

Roughed in mixing Exchange.h



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1722 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-01-30 01:05:44 +00:00
David L Parkhurst
cb46a1debf Removed warning messages from compiler
casts, bool conversion, others

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1009 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-07-07 22:13:43 +00:00
David L Parkhurst
d8a1b2d7fa Renaming some files
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@907 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-09 17:12:45 +00:00
David L Parkhurst
11431ae291 packing and unpacking cxx classes for mpi is running
need to check result.

changed SurfComp.h SurfaceComp.h
changed SurfComp.cxx SurfaceComp.cxx

changed SurfCharge.h SurfaceCharge.h
changed SurfCharge.cxx SurfaceCharge.cxx

Added Dictionary.cxx and Dictionary.h




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@894 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-04 00:02:01 +00:00
David L Parkhurst
574da9a1ac Working on phast driver to use classes for main storage
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@859 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-12 21:44:32 +00:00
David L Parkhurst
3261c99891 Added class SolutionIsotopeList
Working through using C++ structures in transport




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@855 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-11 23:41:57 +00:00
David L Parkhurst
c42d985558 Moved Isotope to SolutionIsotope
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 20:09:24 +00:00
David L Parkhurst
39494b0287 Renamed SolutionComp to ISolutionComp because it is not
used in cxxSolution.

Fixed Makefile to new names



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@792 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 19:52:52 +00:00
David L Parkhurst
75b28d81ca Moved Conc to SolutionComp
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@791 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 18:34:28 +00:00
David L Parkhurst
3da5643ae7 Makefile is working.
Will make pc version and then can move on.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@789 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 17:35:35 +00:00
David L Parkhurst
60a1544019 Copying new classes (cxx) and cpp files to src
Will remove cpp and header files and make phreeqc an external directory.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@785 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 00:21:39 +00:00