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user_graph commands, alk_list

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This commit is contained in:
David Parkhurst 2021-03-24 12:09:31 -06:00
parent 2b14f8090e
commit 3c432d0535
2 changed files with 13 additions and 26 deletions
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10
ChartObject.cpp
View File

@ -87,7 +87,7 @@ cxxNumKeyword(io)
point_added = false;
user_graph = new rate;
user_graph->commands = NULL;
user_graph->commands.clear();
user_graph->name = NULL;
user_graph->new_def = 0;
user_graph->linebase = user_graph->loopbase = user_graph->varbase = NULL;
@ -837,11 +837,7 @@ ChartObject::Set_rate_struct(void)
oss << *it << "\n";
}
this->Rate_free();
if (this->phreeqc_ptr)
{
this->user_graph->commands = (char *) phreeqc_ptr-> PHRQ_malloc((oss.str().size()) + 100 * sizeof(char));
}
::strcpy(this->user_graph->commands, oss.str().c_str());
this->user_graph->commands = oss.str().c_str();
this->user_graph->new_def = this->rate_new_def;
this->user_graph->loopbase = NULL;
this->user_graph->varbase = NULL;
@ -1074,7 +1070,7 @@ ChartObject::Rate_free(void)
if (this->phreeqc_ptr)
{
user_graph->commands = (char *) phreeqc_ptr-> free_check_null(user_graph->commands);
user_graph->commands.clear();
}
if (user_graph->linebase != NULL)
{

29
print.cpp
View File

@ -3539,7 +3539,7 @@ punch_user_graph(void)
if (chart->Get_rate_new_def())
{
if (basic_compile
(chart->Get_user_graph()->commands, &chart->Get_user_graph()->linebase,
(chart->Get_user_graph()->commands.c_str(), &chart->Get_user_graph()->linebase,
&chart->Get_user_graph()->varbase, &chart->Get_user_graph()->loopbase) != 0)
{
error_msg("Fatal Basic error in USER_GRAPH.", STOP);
@ -3606,46 +3606,38 @@ print_alkalinity(void)
* Prints description of solution, uses array species_list for
* order of aqueous species.
*/
int i, j;
struct species_list *alk_list;
int count_alk_list;
int j;
std::vector<struct species_list> alk_list;
LDBLE min;
if (pr.alkalinity == FALSE || pr.all == FALSE)
return (OK);
print_centered("Distribution of alkalinity");
alk_list = (struct species_list *)
PHRQ_malloc((s_x.size() * sizeof(struct species_list)));
if (alk_list == NULL)
{
malloc_error();
return (OK);
}
alk_list.clear();
j = 0;
for (i = 0; i < (int)this->s_x.size(); i++)
for (size_t i = 0; i < this->s_x.size(); i++)
{
if (s_x[i]->alk == 0.0)
continue;
alk_list.resize(alk_list.size() + 1);
alk_list[j].master_s = s_hplus;
alk_list[j].s = s_x[i];
alk_list[j].coef = s_x[i]->alk;
j++;
}
count_alk_list = j;
min = fabs(censor * total_alkalinity / mass_water_aq_x);
if (count_alk_list > 0)
if (alk_list.size() > 0)
{
output_msg(sformatf("\t%26s%11.3e\n\n",
"Total alkalinity (eq/kgw) = ",
(double) (total_alkalinity / mass_water_aq_x)));
output_msg(sformatf("\t%-15s%12s%12s%10s\n\n", "Species",
"Alkalinity", "Molality", "Alk/Mol"));
if (count_alk_list > 1) qsort(&alk_list[0], (size_t) count_alk_list,
if (alk_list.size() > 1) qsort(&alk_list[0], alk_list.size(),
(size_t) sizeof(struct species_list), species_list_compare_alk);
for (i = 0; i < count_alk_list; i++)
for (size_t i = 0; i < alk_list.size(); i++)
{
if (fabs
(alk_list[i].s->alk * (alk_list[i].s->moles) /
if (fabs(alk_list[i].s->alk * (alk_list[i].s->moles) /
mass_water_aq_x) < min)
continue;
output_msg(sformatf("\t%-15s%12.3e%12.3e%10.2f\n",
@ -3658,7 +3650,6 @@ print_alkalinity(void)
}
output_msg(sformatf("\n"));
alk_list = (struct species_list *) free_check_null(alk_list);
return (OK);
}