19 Commits

Author SHA1 Message Date
David L Parkhurst
694c07488e Bugs with kinetics in PHAST.
The formula was not correct when converted to a phreeqcpp class, only the last instance of an element was kept and the rest were lost. Modified NameDouble to accumulate the sum of coefficients for each element when converting from a PHREEQC structure.

The order of the kinetics components was not maintained when converted to a phreeqcpp class. Components were in alphabetical order. This posed a problem with get and put statements because the gets could end up before the puts. Changed from map of components to list of components, which should maintain the order correctly.

Problems with modify solution and redox elements. Laurin pointed out that adding N may leave all the N(x) in place, which increases the total N. Revised read_solution to merge the valence states. If N defined, then all N(x) are removed. If N() defined, then N is removed. Still need to test.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3927 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-01-14 16:26:14 +00:00
David L Parkhurst
3131740cfb Compiles as class, debug, and Release.
Requires recompilation of the entire solution for some reason.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3878 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 22:12:42 +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
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
5de5c6f307 Needed to turn of echo when rereading components.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3743 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-11-03 19:41:47 +00:00
David L Parkhurst
ff19c86d65 The tellg and seekg did not work for gz files because the
methods are not implemented.

Modified the parser to accumulate lines so that they
could be turned into a stream and reread. Modified
kinetics, exchange, ppassemblage, ssassemblage, and surface to use the new way to reread lines for component values. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3742 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-11-03 17:55:36 +00:00
David L Parkhurst
e35673205b Typo of file instead of stream for setting echo to file.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3739 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-11-02 20:43:37 +00:00
David L Parkhurst
5f9cf78f01 Modified for parallel version. Had some lists
in the pack and unpack routines that now are 
maps.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3728 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-29 20:08:56 +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
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
cefe071f17 Reindented, fixed errors, ran test cases.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3176 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-10-31 19:09:45 +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
bfec3cc7c7 Missing break in kinetics_read_raw switch.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2693 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-02-07 23:14:24 +00:00
David L Parkhurst
3f9693c68c Updated C++ to have new variables for KINETICS
cvode_steps, cvode_order.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2684 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-02-05 21:41:45 +00:00
David L Parkhurst
c5d2d6d80d Fixed some warnings found by Studio (casts)
mix.c is now obsolete and eliminated from project.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2079 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-06-15 21:28:13 +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
309d3d7bee Fixed cast warnings in c++
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1008 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-07-07 21:27:45 +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