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Merge commit '74b541d42e40ef1ed8df0bfba9826e55b046e9f0'

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This commit is contained in:
Darth Vader 2020-06-01 18:21:57 +00:00
commit a19f9e7e15
5 changed files with 40 additions and 20 deletions
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8
phreeqcpp/common/Parser.cxx
View File

@ -27,6 +27,11 @@ m_next_keyword(Keywords::KEY_NONE)
if (!io)
{
error_msg("This parser constructor requires non-null phrq_io", PHRQ_io::OT_STOP);
echo_file = EO_ALL;
echo_stream = EO_NONE;
accumulate = false;
phrq_io_only = true;
m_line_type = PHRQ_io::LT_EMPTY;
}
else
{
@ -55,6 +60,7 @@ m_next_keyword(Keywords::KEY_NONE)
echo_stream = EO_NONE;
accumulate = false;
phrq_io_only = false;
m_line_type = PHRQ_io::LT_EMPTY;
}
CParser::~CParser()
@ -326,7 +332,7 @@ PHRQ_io::LINE_TYPE CParser::get_logical_line()
// remove '\\'
for (; pos < m_line_save.size(); pos++)
{
m_line_save[pos] = m_line_save[pos + 1];
m_line_save[pos] = m_line_save[(size_t) pos + 1];
}
m_line_save.erase(m_line_save.size() - 1, 1);
break;

2
phreeqcpp/global_structures.h
View File

@ -604,6 +604,7 @@ class cxxChemRxn
public:
cxxChemRxn(void)
{
logk[0] = dz[0] = 0.0;
for (size_t i = 0; i < MAX_LOG_K_INDICES; i++)
{
logk[i] = 0.0;
@ -615,6 +616,7 @@ public:
}
cxxChemRxn(struct reaction *rxn)
{
logk[0] = dz[0] = 0.0;
for (size_t i = 0; i < MAX_LOG_K_INDICES; i++)
{
logk[i] = rxn->logk[i];

18
phreeqcpp/kinetics.cpp
View File

@ -188,7 +188,11 @@ RESTART: // if limiting rates, jump to here
{
char * temp_name = string_duplicate(name.c_str());
char * ptr = temp_name;
get_elts_in_species(&ptr, coef * coef1);
if (get_elts_in_species(&ptr, coef * coef1) == ERROR)
{
error_string = sformatf("Error in -formula: %s", temp_name);
error_msg(error_string, CONTINUE);
}
free_check_null(temp_name);
}
}
@ -208,7 +212,11 @@ RESTART: // if limiting rates, jump to here
/* found kinetics component */
char * formula = string_duplicate(exchange_ptr->Get_exchange_comps()[j].Get_formula().c_str());
char * ptr = formula;
get_elts_in_species(&ptr, -coef*exchange_ptr->Get_exchange_comps()[j].Get_phase_proportion());
if (get_elts_in_species(&ptr, -coef*exchange_ptr->Get_exchange_comps()[j].Get_phase_proportion()) == ERROR)
{
error_string = sformatf("Error in -formula: %s", formula);
error_msg(error_string, CONTINUE);
}
free_check_null(formula);
}
}
@ -243,7 +251,11 @@ RESTART: // if limiting rates, jump to here
}
else
{
get_elts_in_species(&ptr, -coef * surface_comp_ptr->Get_phase_proportion());
if (get_elts_in_species(&ptr, -coef * surface_comp_ptr->Get_phase_proportion()) == ERROR)
{
error_string = sformatf("Error in -formula: %s", temp_formula);
error_msg(error_string, CONTINUE);
}
}
free_check_null(temp_formula);
}

24
phreeqcpp/model.cpp
View File

@ -1207,7 +1207,7 @@ ineq(int in_kode)
/* Copy in saturation index equation (has mass or supersaturated) */
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(my_array[i * (count_unknowns + 1)]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
back_eq[l_count_rows] = i;
//if (it->second.Get_add_formula().size() == 0
if (comp_ptr->Get_add_formula().size() == 0
@ -1241,7 +1241,7 @@ ineq(int in_kode)
*/
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(my_array[i * (count_unknowns + 1)]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
back_eq[l_count_rows] = i;
l_count_rows++;
/*
@ -1252,7 +1252,7 @@ ineq(int in_kode)
{
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(my_array[i * (count_unknowns + 1)]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
back_eq[l_count_rows] = i;
res[l_count_rows] = 1.0;
@ -1269,7 +1269,7 @@ ineq(int in_kode)
{
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(my_array[i * (count_unknowns + 1)]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
back_eq[l_count_rows] = i;
res[l_count_rows] = 1.0;
if (in_kode != 1)
@ -1351,7 +1351,7 @@ ineq(int in_kode)
}
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(my_array[i * (count_unknowns + 1)]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
back_eq[l_count_rows] = i;
if (mass_water_switch == TRUE && x[i] == mass_hydrogen_unknown)
{
@ -1368,7 +1368,7 @@ ineq(int in_kode)
{
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(my_array[i * (count_unknowns + 1)]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
back_eq[l_count_rows] = i;
l_count_rows++;
}
@ -1412,7 +1412,7 @@ ineq(int in_kode)
memcpy((void *)
&(ineq_array[l_count_rows * max_column_count]),
(void *) &(zero[0]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
ineq_array[l_count_rows * max_column_count + i] = 1.0;
ineq_array[l_count_rows * max_column_count +
count_unknowns] = x[i]->moles;
@ -1425,7 +1425,7 @@ ineq(int in_kode)
memcpy((void *)
&(ineq_array[l_count_rows * max_column_count]),
(void *) &(zero[0]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
ineq_array[l_count_rows * max_column_count + i] = -1.0;
ineq_array[l_count_rows * max_column_count +
count_unknowns] =
@ -1447,7 +1447,7 @@ ineq(int in_kode)
{
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(my_array[i * (count_unknowns + 1)]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
back_eq[l_count_rows] = i;
for (j = 0; j < count_unknowns; j++)
{
@ -1609,7 +1609,7 @@ ineq(int in_kode)
{
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(zero[0]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
ineq_array[l_count_rows * max_column_count + i] = -1.0;
ineq_array[l_count_rows * max_column_count + count_unknowns] =
x[i]->moles;
@ -1647,7 +1647,7 @@ ineq(int in_kode)
{
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(zero[0]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
ineq_array[l_count_rows * max_column_count + i] = 1.0;
ineq_array[l_count_rows * max_column_count + count_unknowns] =
0.99 * x[i]->moles - MIN_TOTAL_SS;
@ -1674,7 +1674,7 @@ ineq(int in_kode)
{
memcpy((void *) &(ineq_array[l_count_rows * max_column_count]),
(void *) &(my_array[i * (count_unknowns + 1)]),
(size_t) (count_unknowns + 1) * sizeof(LDBLE));
((size_t) count_unknowns + 1) * sizeof(LDBLE));
back_eq[l_count_rows] = i;
for (j = 0; j < count_unknowns; j++)
{

8
phreeqcpp/parse.cpp
View File

@ -580,7 +580,7 @@ get_elts_in_species(char **t_ptr, LDBLE coef)
char c, c1;
LDBLE d;
char element[MAX_LENGTH];
char** t_ptr_save = t_ptr;
while (((c = **t_ptr) != '+') && (c != '-') && (c != '\0'))
{
/* close parenthesis */
@ -689,7 +689,7 @@ get_elts_in_species(char **t_ptr, LDBLE coef)
}
if (paren_count != 0)
{
error_string = sformatf( "Unbalanced parentheses.");
error_string = sformatf( "Unbalanced parentheses: %s", *t_ptr_save);
error_msg(error_string, CONTINUE);
input_error++;
return (ERROR);
@ -837,7 +837,7 @@ get_secondary_in_species(char **t_ptr, LDBLE coef)
char c, c1;
LDBLE d;
char element[MAX_LENGTH];
char** t_ptr_save = t_ptr;
while (((c = **t_ptr) != '+') && (c != '-') && (c != '\0'))
{
/* close parenthesis */
@ -941,7 +941,7 @@ get_secondary_in_species(char **t_ptr, LDBLE coef)
}
if (paren_count != 0)
{
error_string = sformatf( "Unbalanced parentheses.");
error_string = sformatf("Unbalanced parentheses: %s", *t_ptr_save);
error_msg(error_string, CONTINUE);
return (ERROR);
}