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Merge remote-tracking branch 'origin/master' into state

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This commit is contained in:
David Parkhurst 2021-06-13 07:37:50 -06:00
commit 26c71a359b
6 changed files with 29 additions and 5 deletions
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1
phreeqcpp/Phreeqc.h
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@ -1400,6 +1400,7 @@ protected:
*---------------------------------------------------------------------- */
std::vector<class unknown*> x;
size_t count_unknowns;
size_t sit_aqueous_unknowns;
size_t max_unknowns;
class unknown* ah2o_unknown;

5
phreeqcpp/mainsubs.cpp
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@ -73,6 +73,11 @@ initialize(void)
change_surf[0].next = TRUE;
change_surf[1].cell_no = -99;
change_surf[1].next = FALSE;
/*
* define constant named log_k
*/
class logk* logk_ptr = logk_store("XconstantX", TRUE);
read_log_k_only("1.0", &logk_ptr->log_k[0]);
#ifdef PHREEQCI_GUI
g_spread_sheet.heading = NULL;

4
phreeqcpp/prep.cpp
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@ -1240,8 +1240,7 @@ build_model(void)
}
if (dl_type_x != cxxSurface::NO_DL && (/*pitzer_model == TRUE || */sit_model == TRUE)) //DL_pitz
{
error_msg("-diffuse_layer option not available for Pizer or SIT model",
STOP);
warning_msg("-diffuse_layer option not tested for SIT model");
}
/*
* Sum diffuse layer water into hydrogen and oxygen mass balances
@ -1285,6 +1284,7 @@ build_model(void)
k++;
count_unknowns++;
}
sit_aqueous_unknowns = count_unknowns - j0;
}
/*
* Rewrite phases to current master species

3
phreeqcpp/sit.cpp
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@ -1117,7 +1117,8 @@ model_sit(void)
{
count_basis_change++;
count_unknowns -= (int)this->s_x.size();
//count_unknowns -= (int)this->s_x.size();
count_unknowns -= sit_aqueous_unknowns;
reprep();
full_pitzer = false;
}

2
phreeqcpp/spread.cpp
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@ -1136,7 +1136,7 @@ copy_token_tab(std::string& token, const char **cptr)
* EOL,
* UNKNOWN.
*/
int i, j, return_value;
int i, return_value;
char c;
/*
* Strip leading spaces

19
phreeqcpp/tidy.cpp
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@ -1824,7 +1824,9 @@ tidy_punch(void)
for (size_t i = 0; i < current_selected_output->Get_totals().size(); i++)
{
std::pair< std::string, void *> &pair_ptr = current_selected_output->Get_totals()[i];
pair_ptr.second = master_bsearch(pair_ptr.first.c_str());
std::string noplus = pair_ptr.first;
replace(noplus, "+", "");
pair_ptr.second = master_bsearch(noplus.c_str());
}
/* molalities */
@ -3800,6 +3802,21 @@ tidy_min_surface(void)
*/
for (int jj = 0; jj < count_elts; jj++)
{
if (elt_list[jj].elt->primary == NULL)
{
error_string = sformatf("Primary master species missing for %s",
elt_list[jj].elt->name);
error_msg(error_string, CONTINUE);
break;
}
if (elt_list[jj].elt->primary->s == NULL)
{
error_string = sformatf(
"Species missing for %s", elt_list[jj].elt->name);
error_msg(error_string, CONTINUE);
break;
}
if (elt_list[jj].elt->primary->s->type != SURF
&& elt_list[jj].coef < 0
//&& elt_list[jj].elt->primary->s != s_hplus