max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-15 16:18:22 +01:00
Code Issues Packages Projects Releases Wiki Activity

Merge commit 'ecbb26c3d7f6f15e97874b866b7b6b4a5be9a65d'

Browse Source
This commit is contained in:
Darth Vader 2021-03-18 15:52:41 +00:00
commit 29375bfc74
8 changed files with 35 additions and 35 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
phreeqcpp/Phreeqc.h
View File

@ -1446,7 +1446,7 @@ protected:
/*----------------------------------------------------------------------
* Element List
*---------------------------------------------------------------------- */
std::vector<elt_list> elt_list;
std::vector<struct elt_list> elt_list;
int count_elts; /* number of elements in elt_list = position of next */
/*----------------------------------------------------------------------
* Reaction
@ -1682,7 +1682,7 @@ protected:
/* ----------------------------------------------------------------------
* ISOTOPES
* ---------------------------------------------------------------------- */
std::vector<master_isotope*> master_isotope;
std::vector<struct master_isotope*> master_isotope;
int initial_solution_isotopes;
std::vector<struct calculate_value*> calculate_value;
HashTable *calculate_value_hash_table;

6
phreeqcpp/basicsubs.cpp
View File

@ -2638,7 +2638,7 @@ edl_species(const char *surf_name, LDBLE * count, char ***names, LDBLE ** moles,
*/
if (sys.size() > 1)
{
qsort(sys.data(), sys.size(),
qsort(&sys[0], sys.size(),
sizeof(struct system_species), system_species_compare);
}
/*
@ -2729,12 +2729,12 @@ system_total(const char *total_name, LDBLE * count, char ***names,
*/
if (sys.size() > 1 && isort == 0)
{
qsort(sys.data(), sys.size(),
qsort(&sys[0], sys.size(),
sizeof(struct system_species), system_species_compare);
}
else
{
qsort(sys.data(), sys.size(),
qsort(&sys[0], sys.size(),
(size_t)sizeof(struct system_species), system_species_compare_name);
}
/*

6
phreeqcpp/cl1.cpp
View File

@ -854,19 +854,19 @@ cl1_space(int check, int l_n2d, int klm, int l_nklmd)
x_arg_v.resize(l_n2d);
x_arg = &x_arg_v[0];
}
memset(x_arg_v.data(), 0, sizeof(double) * (size_t)l_n2d);
memset(&x_arg_v[0], 0, sizeof(double) * (size_t)l_n2d);
if (klm > res_arg_v.size())
{
res_arg_v.resize(klm);
res_arg = &res_arg_v[0];
}
memset(res_arg_v.data(), 0, sizeof(double) * (size_t)klm);
memset(&res_arg_v[0], 0, sizeof(double) * (size_t)klm);
if (l_nklmd > scratch_v.size())
{
scratch_v.resize(l_nklmd);
scratch = &scratch_v[0];
}
memset(scratch_v.data(), 0, sizeof(double) * (size_t)l_nklmd);
memset(&scratch_v[0], 0, sizeof(double) * (size_t)l_nklmd);
}

2
phreeqcpp/inverse.cpp
View File

@ -1453,7 +1453,7 @@ solve_with_mask(struct inverse *inv_ptr, unsigned long cur_bits)
memcpy((void *) &(delta_save[0]), (void *) &(inv_zero[0]),
(size_t) max_column_count * sizeof(LDBLE));
shrink(inv_ptr, my_array.data(), array1,
shrink(inv_ptr, &my_array[0], array1,
&k, &l, &m, &n, cur_bits, delta2, col_back, row_back);
/*
* Save delta constraints

14
phreeqcpp/model.cpp
View File

@ -1125,11 +1125,11 @@ ineq(int in_kode)
ineq_array.resize((size_t)max_row_count * (size_t)max_column_count);
back_eq.resize((size_t)max_row_count);
zero.resize((size_t)max_row_count);
memset(zero.data(), 0, (size_t)max_row_count * sizeof(double));
memset(&zero[0], 0, (size_t)max_row_count * sizeof(double));
res.resize((size_t)max_row_count);
memset(res.data(), 0, (size_t)max_row_count * sizeof(double));
memset(&res[0], 0, (size_t)max_row_count * sizeof(double));
delta1.resize((size_t)max_column_count);
memset(delta1.data(), 0,(size_t)max_column_count * sizeof(double));
memset(&delta1[0], 0,(size_t)max_column_count * sizeof(double));
/*
* Copy equations to optimize into ineq_array
*/
@ -1695,7 +1695,7 @@ ineq(int in_kode)
if (debug_model == TRUE)
{
output_msg(sformatf( "\nA and B arrays:\n\n"));
array_print(ineq_array.data(), l_count_rows, count_unknowns + 1,
array_print(&ineq_array[0], l_count_rows, count_unknowns + 1,
max_column_count);
}
/*
@ -1781,9 +1781,9 @@ ineq(int in_kode)
/*
* Call CL1
*/
cl1(k, l, m, n, l_nklmd, l_n2d, ineq_array.data(),
&l_kode, ineq_tol, &l_iter, delta1.data(), res.data(),
&l_error, cu.data(), iu.data(), is.data(), FALSE);
cl1(k, l, m, n, l_nklmd, l_n2d, &ineq_array[0],
&l_kode, ineq_tol, &l_iter, &delta1[0], &res[0],
&l_error, &cu[0], &iu[0], &is[0], FALSE);
/* Set return_kode */
if (l_kode == 1)
{

4
phreeqcpp/parse.cpp
View File

@ -140,7 +140,7 @@ parse_eq(char *eqn, struct elt_list **elt_ptr, int association)
/*
* Sort elements in reaction and combine
*/
//qsort(elt_list.data(), (size_t) count_elts, sizeof(struct elt_list),
//qsort(elt_list[0], (size_t) count_elts, sizeof(struct elt_list),
// elt_list_compare);
if (elt_list_combine() == ERROR)
return (ERROR);
@ -228,7 +228,7 @@ check_eqn(int association)
/*
* Sort elements in reaction and combine
*/
//qsort(elt_list.data(), (size_t) count_elts, sizeof(struct elt_list),
//qsort(elt_list[0], (size_t) count_elts, sizeof(struct elt_list),
// elt_list_compare);
if (elt_list_combine() == ERROR)
return (ERROR);

26
phreeqcpp/structures.cpp
View File

@ -415,7 +415,7 @@ elt_list_combine(void)
{
return (OK);
}
qsort(elt_list.data(), (size_t)count_elts,
qsort(&elt_list[0], (size_t)count_elts,
sizeof(struct elt_list), Phreeqc::elt_list_compare);
j = 0;
for (i = 1; i < count_elts; i++)
@ -850,7 +850,7 @@ inverse_sort(void)
*/
if (count_inverse > 0)
{
qsort(inverse.data(), (size_t) count_inverse,
qsort(&inverse[0], (size_t) count_inverse,
sizeof(struct inverse), inverse_compare);
}
return (OK);
@ -962,7 +962,7 @@ master_bsearch(const char *ptr)
return (NULL);
}
void_ptr = bsearch((const char *) ptr,
(char *) master.data(),
(char *) master[0],
master.size(),
sizeof(struct master *), master_compare_string);
if (void_ptr == NULL)
@ -970,7 +970,7 @@ master_bsearch(const char *ptr)
char * dup = string_duplicate(ptr);
replace("(+","(", dup);
void_ptr = bsearch((const char *) dup,
(char*)master.data(),
(char*)master[0],
master.size(),
sizeof(struct master*), master_compare_string);
dup = (char *) free_check_null(dup);
@ -1258,7 +1258,7 @@ phase_bsearch(const char *ptr, int *j, int print)
{
void_ptr = (void *)
bsearch((char *) ptr,
(char *) phases.data(),
(char *) phases[0],
phases.size(),
sizeof(struct phase *), phase_compare_string);
}
@ -1274,7 +1274,7 @@ phase_bsearch(const char *ptr, int *j, int print)
return (NULL);
}
*j = (int) ((struct phase **) void_ptr - phases.data());
*j = (int) ((struct phase **) void_ptr - &phases[0]);
return (*(struct phase **) void_ptr);
}
@ -1434,7 +1434,7 @@ rate_bsearch(char *ptr, int *j)
}
void_ptr = (void *)
bsearch((char *) ptr,
(char *) rates.data(),
(char *) &rates[0],
rates.size(),
sizeof(struct rate *), rate_compare_string);
@ -1444,7 +1444,7 @@ rate_bsearch(char *ptr, int *j)
return (NULL);
}
*j = (int) ((struct rate *) void_ptr - rates.data());
*j = (int) ((struct rate *) void_ptr - &rates[0]);
return ((struct rate *) void_ptr);
}
@ -1579,7 +1579,7 @@ rate_sort(void)
*/
if (rates.size() > 1)
{
qsort(rates.data(), rates.size(), sizeof(struct rate),
qsort(&rates[0], rates.size(), sizeof(struct rate),
rate_compare);
}
return (OK);
@ -2105,7 +2105,7 @@ save_values_bsearch(struct save_values *k, int *n)
}
void_ptr = (void *)
bsearch((char *) k,
(char *) save_values.data(),
(char *) &save_values[0],
save_values.size(),
(size_t) sizeof(struct save_values), save_values_compare);
if (void_ptr == NULL)
@ -2113,7 +2113,7 @@ save_values_bsearch(struct save_values *k, int *n)
*n = -999;
return (NULL);
}
*n = (int) ((struct save_values *) void_ptr - save_values.data());
*n = (int) ((struct save_values *) void_ptr - &save_values[0]);
return ((struct save_values *) void_ptr);
}
@ -2165,7 +2165,7 @@ save_values_sort(void)
*/
if (save_values.size() > 0)
{
qsort(save_values.data(), save_values.size(),
qsort(&save_values[0], save_values.size(),
sizeof(struct save_values), save_values_compare);
}
return (OK);
@ -2209,7 +2209,7 @@ save_values_store(struct save_values *s_v)
if (save_values.size() > 0)
{
qsort(save_values.data(), save_values.size(),
qsort(&save_values[0], save_values.size(),
sizeof(struct save_values), save_values_compare);
}
return (OK);

8
phreeqcpp/tidy.cpp
View File

@ -150,14 +150,14 @@ tidy_model(void)
/* species */
if (new_model == TRUE)
{
qsort(s.data(), s.size(), sizeof(struct species *), s_compare);
qsort(s[0], s.size(), sizeof(struct species *), s_compare);
/* master species */
qsort(master.data(), master.size(), sizeof(struct master *), master_compare);
qsort(master[0], master.size(), sizeof(struct master *), master_compare);
/* elements */
qsort(elements.data(), elements.size(), sizeof(struct element *), element_compare);
qsort(elements[0], elements.size(), sizeof(struct element *), element_compare);
/* phases */
qsort(phases.data(), phases.size(), sizeof(struct phase *), phase_compare);
qsort(phases[0], phases.size(), sizeof(struct phase *), phase_compare);
}