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Merge commit '6e7023f8428a4bfde82f7dc83287ae95b38f1d6b'

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Darth Vader 2020-08-31 01:56:04 +00:00
commit 99b48a4f49
3 changed files with 45 additions and 5 deletions
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phreeqcpp/ZedGraph.dll
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6
phreeqcpp/readtr.cpp
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@ -915,9 +915,9 @@ read_transport(void)
warning_msg(error_string); warning_msg(error_string);
for (i = count_por; i < all_cells - st; i++) for (i = count_por; i < all_cells - st; i++)
{ {
if (i == max_cells) //if (i == max_cells)
continue; // continue;
assert((i+1) < all_cells); //assert((i+1) < all_cells);
if ((i+1) < all_cells) if ((i+1) < all_cells)
{ {
cell_data[i + 1].por = pors[count_por - 1]; cell_data[i + 1].por = pors[count_por - 1];

44
phreeqcpp/tidy.cpp
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@ -3801,7 +3801,27 @@ update_kin_exchange(void)
conc = kinetics_ptr->Get_kinetics_comps()[k].Get_m() * comp_ref.Get_phase_proportion(); conc = kinetics_ptr->Get_kinetics_comps()[k].Get_m() * comp_ref.Get_phase_proportion();
if (found_exchange && comp_moles > 0.0) if (found_exchange && comp_moles > 0.0)
{ {
comp_ref.multiply(conc / comp_moles); /* parse formula */
count_elts = 0;
paren_count = 0;
{
char* temp_formula = string_duplicate(comp_ref.Get_formula().c_str());
ptr = temp_formula;
get_elts_in_species(&ptr, 1.0);
free_check_null(temp_formula);
}
cxxNameDouble nd_formula = elt_list_NameDouble();
double comp_coef = 0;
for (kit = nd_formula.begin(); kit != nd_formula.end(); kit++)
{
/* Find master species */
struct element* elt_ptr = element_store(kit->first.c_str());
if (elt_ptr->master->type == EX)
{
comp_coef = kit->second;
}
}
comp_ref.multiply(comp_coef * conc / comp_moles);
} }
else /* need to generate totals from scratch */ else /* need to generate totals from scratch */
{ {
@ -4077,7 +4097,27 @@ update_min_exchange(void)
conc = jit->second.Get_moles() * comp_ref.Get_phase_proportion(); conc = jit->second.Get_moles() * comp_ref.Get_phase_proportion();
if (found_exchange && comp_moles > 0.0) if (found_exchange && comp_moles > 0.0)
{ {
comp_ref.multiply(conc / comp_moles); /* parse formula */
count_elts = 0;
paren_count = 0;
{
char* temp_formula = string_duplicate(comp_ref.Get_formula().c_str());
ptr = temp_formula;
get_elts_in_species(&ptr, 1.0);
free_check_null(temp_formula);
}
cxxNameDouble nd_formula = elt_list_NameDouble();
double comp_coef = 0;
for (kit = nd_formula.begin(); kit != nd_formula.end(); kit++)
{
/* Find master species */
struct element* elt_ptr = element_store(kit->first.c_str());
if (elt_ptr->master->type == EX)
{
comp_coef = kit->second;
}
}
comp_ref.multiply(comp_coef * conc / comp_moles);
} }
else /* comp_moles is zero, need to redefine totals from scratch */ else /* comp_moles is zero, need to redefine totals from scratch */
{ {