All reactant structs have been removed.
Tony's pressure uses mu in pressure term of log_k.
Test cases run, discriminant check at 1e-8.
Still want to optimize out some k_temp calls and checks for same T, P, mu.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
get_line moved to PHRQ_io.
Still debugging some.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
some static and extern
unused static maps
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5717 1feff8c3-07ed-0310-ac33-dd36852eb9cd
removed all PHREEQC_CLASS ifdefs
Need to remove old_io ifdefs
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5712 1feff8c3-07ed-0310-ac33-dd36852eb9cd
Will continue to remove PHREEQC_CLASS.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5711 1feff8c3-07ed-0310-ac33-dd36852eb9cd
clean up some consts.
Adding methods for Mix, Reaction, Temperature.
Need parallel method for exchange_ptr_to_user for mix, irrev, temperature.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5689 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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
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
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
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
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
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
Also checked that dump/read/dump gave equivalent files for isotopes.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5453 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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
after SOLUTION_MODIFY.
Updating modifyact files for Linux.
Unused variable in Solution.cxx.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5272 1feff8c3-07ed-0310-ac33-dd36852eb9cd
M src/cxxKinetics.cxx
M src/NameDouble.cxx
M src/Exchange.cxx
M src/ISolution.cxx
M src/ISolutionComp.cxx
M src/ISolutionComp.h
M src/SSassemblage.cxx
M src/Solution.cxx
M src/GasPhase.cxx
M src/PPassemblage.cxx
M src/ISolution.h
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4654 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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
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
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
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
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
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
element Tc as the temperature identifier and crashed
when additional elements followed in -totals or
-activity_coefficients.
Removed "tc" as an identifier for temperature.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3613 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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
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
