24 Commits

Author SHA1 Message Date
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
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
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
David L Parkhurst
3fe2fcd3bb Modified to run_cells if solution exists, even with no reactants.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3824 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-02 15:45:49 +00:00
Scott R Charlton
303864120a updated for COM object
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3749 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-11-03 23:39:32 +00:00
David L Parkhurst
c73fc4b2e9 Modifications for Linux.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3736 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-11-02 15:34:29 +00:00
David L Parkhurst
259c0839f0 Added new class runner.
Finished new keyword RUN_CELLS.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3730 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-30 22:27:43 +00:00
David L Parkhurst
cd38a8036d Have done preliminary testing with all MODIFY keywords.
Added brief documentation in revisions.

Fixed dump feature of TRANSPORT to work with
dump_raw of C++.

ppdump now has testing for DUMP, DELETE, and MODIFY.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3727 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-29 19:53:35 +00:00
David L Parkhurst
d54c04039a Have converted std::list to std::map for all entities.
surface is completed but needs testing.

SS and kinetics need to have reread of components implemented for MODIFY option.

gas_phase may be done, needs to be tested.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3726 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-28 19:15:17 +00:00
David L Parkhurst
f015759286 exchange_modify is working.
changed list of comps to map of comps.

made sure that description changes were captured for solution, equilibrium_phases, and exchange.

surface is next.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3725 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-27 22:57:49 +00:00
David L Parkhurst
b9e38f4da8 Updated phreeqcpp to have examples from phreeqc.
equilibrium_phases_read_raw has duplicate lines.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3724 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-27 20:29:04 +00:00
David L Parkhurst
cbfb768381 Initial testing of SOLUTION_MODIFY and EQUILIBRIUM_PHASES_MODIFY.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3721 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-27 16:38:25 +00:00
David L Parkhurst
2fd35ce463 Delete, Dump seem to work.
SOLUTION_MODIFY seems to work, but need to check all features.

EQUILIBRIUM_PHASES_MODIFY fails. Need to use maps to allow update I think. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3719 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-23 00:03:23 +00:00
David L Parkhurst
79092e94b4 Have added delete, but parser is not working correctly. Am going back to 3705 to see if it worked correctly then.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3716 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-22 19:24:31 +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
c3d4c1c462 Subsequent simulation wiped out dump file even though there was no dump. Check to see if dump file is needed before opening file in dump_entities.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3705 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-07 16:19:39 +00:00
David L Parkhurst
a81cd945b3 Added dump datablock for phreeqcpp
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3700 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-06 22:55:15 +00:00
David L Parkhurst
45d120f629 Fixed bug with reallocation for Read_raw for storage bin. Was allocating space for a pointer array instead of structure arrays for exchange, surface, etc. ReadClass.cxx.
Commented delay_free for debugging in main.c

down and dirty dump for transport using dump_raw StorageBin. (readtr.c)

Changed definitions for sit.c to use variables in pitzer.c. Defined with extern in sit.c.







git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3459 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-04-20 20:40:12 +00:00
David L Parkhurst
3313c814a9 Ran indent program on phreeqcpp
indent -bli0 -i4 -ts4 -npcs -nbc *.cxx




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3168 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-10-31 15:19:39 +00:00
David L Parkhurst
07f03ea2e5 Fixed echo in parser for ReadClass.cxx.
Works with testcase "raw".

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1607 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-01-10 23:19:56 +00:00
David L Parkhurst
2dc33fb7ae Working on echoing for CParser
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1605 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-01-10 21:45:56 +00:00
David L Parkhurst
888140c4a5 Updated with phreeqc files.
Main difference is the logic for rebuilding a model. Should
run faster now, but has slight differences in example files.

Imported changes from ph2orch.

Plan to make phreeqcpp a subdirectory of ph2orch/src.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1601 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-01-10 00:03:03 +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
dff0e3454b House cleaning for phreeqcpp
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@787 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 15:40:24 +00:00