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Added row ntally_row + 1 that contains the moles of each reactant.

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7898 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-08-08 21:17:07 +00:00
parent a49f540ee5
commit 8609b3dfb2
1 changed files with 13 additions and 2 deletions
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15
tally.cpp
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@ -274,6 +274,15 @@ store_tally_table(LDBLE * l_array, int row_dim, int col_dim, LDBLE fill_factor)
tally_table[i].total[2][j].moles / fill_factor;
}
}
/*
* Add row for total moles of reactant
*/
for (i = 0; i < count_tally_table_columns; i++)
{
l_array[i * row_dim + count_tally_table_rows] =
tally_table[i].moles / fill_factor;
}
return (OK);
}
@ -622,6 +631,7 @@ fill_tally_table(int *n_user, int index_conservative, int n_buffer)
count_elts = 0;
paren_count = 0;
moles = it->second.Get_moles();
tally_table[i].moles = moles;
add_elt_list(tally_table[i].formula, moles);
elt_list_to_tally_table(tally_table[i].total[n_buffer]);
}
@ -710,6 +720,7 @@ fill_tally_table(int *n_user, int index_conservative, int n_buffer)
break;
count_elts = 0;
paren_count = 0;
tally_table[i].moles = moles;
add_elt_list(tally_table[i].formula, moles);
elt_list_to_tally_table(tally_table[i].total[n_buffer]);
}
@ -732,8 +743,7 @@ fill_tally_table(int *n_user, int index_conservative, int n_buffer)
int k;
struct phase *phase_ptr = phase_bsearch((*gc)[l].Get_phase_name().c_str(), &k, FALSE);
add_elt_list(phase_ptr->next_elt,
(*gc)[l].Get_moles());
add_elt_list(phase_ptr->next_elt, (*gc)[l].Get_moles());
}
qsort(elt_list, (size_t) count_elts,
(size_t) sizeof(struct elt_list), elt_list_compare);
@ -765,6 +775,7 @@ fill_tally_table(int *n_user, int index_conservative, int n_buffer)
if (j >= kinetics_ptr->Get_kinetics_comps().size())
break;
moles = kinetics_comp_ptr->Get_m();
tally_table[i].moles = moles;
count_elts = 0;
paren_count = 0;
add_elt_list(tally_table[i].formula, moles);