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Save only aqueous species in phreeqc species_map.

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Added species_map to copy operator
made mg/L default for Solution.cxx
default species_save_on is false.
Added some defaults to documentation
added species_cpp test.

bug in species_utility_cpp.txt

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8543 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2014-03-04 20:08:26 +00:00
parent 3f0cd06d6e
commit f10f513716
2 changed files with 21 additions and 1 deletions
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16
Solution.cxx
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@ -78,6 +78,7 @@ cxxSolution::operator =(const cxxSolution &rhs)
this->master_activity = rhs.master_activity;
this->species_gamma = rhs.species_gamma;
this->isotopes = rhs.isotopes;
this->species_map = rhs.species_map;
if (this->initial_data)
delete initial_data;
if (rhs.initial_data != NULL)
@ -1279,6 +1280,21 @@ cxxSolution::add(const cxxSolution & addee, LDBLE extensive)
this->master_activity.add_log_activities(addee.master_activity, f1, f2);
this->species_gamma.add_intensive(addee.species_gamma, f1, f2);
this->Add_isotopes(addee.isotopes, f2, extensive);
{
// Add species
std::map<int, double>::const_iterator it = addee.species_map.begin();
for ( ; it != addee.species_map.end(); it++)
{
if (this->species_map.find(it->first) != this->species_map.end())
{
this->species_map[it->first] = this->species_map[it->first] * f1 + it->second * f2;
}
else
{
this->species_map[it->first] = it->second;
}
}
}
}
void

6
mainsubs.cpp
View File

@ -1596,10 +1596,14 @@ xsolution_save(int n_user)
#endif
if (this->save_species)
{
// saves mol/L
temp_solution.Get_species_map().clear();
for (int i = 0; i < this->count_s_x; i++)
{
temp_solution.Get_species_map()[s_x[i]->number] = s_x[i]->moles;
if (s_x[i]->type <= H2O)
{
temp_solution.Get_species_map()[s_x[i]->number] = s_x[i]->moles / temp_solution.Get_soln_vol();
}
}
}
/*