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cl1 variables converted to std::vector

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This commit is contained in:
David Parkhurst 2021-03-14 11:45:48 -06:00
parent 1e0d410577
commit 9d9fbfb85e
7 changed files with 20 additions and 186 deletions
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25
Phreeqc.cpp
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@ -1002,8 +1002,6 @@ void Phreeqc::init(void)
//have_punch_name = FALSE; //have_punch_name = FALSE;
print_density = 0; print_density = 0;
print_viscosity = 0; print_viscosity = 0;
zeros = NULL;
zeros_max = 1;
cell_pore_volume = 0; cell_pore_volume = 0;
cell_volume = 0; cell_volume = 0;
cell_porosity = 0; cell_porosity = 0;
@ -1178,24 +1176,7 @@ void Phreeqc::init(void)
/* model.cpp ------------------------------- */ /* model.cpp ------------------------------- */
gas_in = FALSE; gas_in = FALSE;
min_value = 1e-10; min_value = 1e-10;
//normal = NULL;
//ineq_array = NULL;
//res = NULL;
//cu = NULL;
zero = NULL;
//delta1 = NULL;
//iu = NULL;
//is = NULL;
//back_eq = NULL;
//normal_max = 0;
////ineq_array_max = 0;
//res_max = 0;
//cu_max = 0;
//zero_max = 0;
//delta1_max = 0;
//iu_max = 0;
//is_max = 0;
//back_eq_max = 0;
/* phrq_io_output.cpp ------------------------------- */ /* phrq_io_output.cpp ------------------------------- */
forward_output_to_log = 0; forward_output_to_log = 0;
/* phreeqc_files.cpp ------------------------------- */ /* phreeqc_files.cpp ------------------------------- */
@ -1859,10 +1840,6 @@ Phreeqc::InternalCopy(const Phreeqc *pSrc)
count_phases = 0; count_phases = 0;
max_phases = MAX_PHASES; max_phases = MAX_PHASES;
*/ */
//max_phases = pSrc->max_phases;
//phases = (struct phase **) PHRQ_malloc((size_t)max_phases * sizeof(struct phase));
//space((void **)((void *)&phases), INIT, &max_phases,
// sizeof(struct phase *));
count_phases = 0; count_phases = 0;
for (int i = 0; i < pSrc->count_phases; i++) for (int i = 0; i < pSrc->count_phases; i++)
{ {

12
Phreeqc.h
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@ -1144,7 +1144,6 @@ protected:
int string_trim_right(char *str); int string_trim_right(char *str);
int string_trim_left(char *str); int string_trim_left(char *str);
static LDBLE under(LDBLE xval); static LDBLE under(LDBLE xval);
void zero_double(LDBLE * target, int n);
int get_input_errors(void); int get_input_errors(void);
int isamong(char c, const char *s_l); int isamong(char c, const char *s_l);
Address Hash_multi(HashTable * Table, const char *Key); Address Hash_multi(HashTable * Table, const char *Key);
@ -1754,9 +1753,6 @@ protected:
/* VP: Density End */ /* VP: Density End */
int print_viscosity; int print_viscosity;
LDBLE *zeros;
int zeros_max;
LDBLE viscos, viscos_0, viscos_0_25; // viscosity of the solution, of pure water, of pure water at 25 C LDBLE viscos, viscos_0, viscos_0_25; // viscosity of the solution, of pure water, of pure water at 25 C
LDBLE cell_pore_volume; LDBLE cell_pore_volume;
LDBLE cell_porosity; LDBLE cell_porosity;
@ -1865,12 +1861,8 @@ protected:
/* model.cpp ------------------------------- */ /* model.cpp ------------------------------- */
int gas_in; int gas_in;
LDBLE min_value; LDBLE min_value;
LDBLE *normal, *ineq_array, *res, *cu, *zero, *delta1; std::vector<double> normal, ineq_array, res, cu, zero, delta1;
std::vector<double> normal_v, ineq_array_v, res_v, cu_v, zero_v, delta1_v; std::vector<int> iu, is, back_eq;
int *iu, *is, *back_eq;
std::vector<int> iu_v, is_v, back_eq_v;
//int normal_max, ineq_array_max, res_max, cu_max, zero_max,
// delta1_max, iu_max, is_max, back_eq_max;
/* phrq_io_output.cpp ------------------------------- */ /* phrq_io_output.cpp ------------------------------- */
int forward_output_to_log; int forward_output_to_log;

51
cl1.cpp
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@ -849,61 +849,12 @@ cl1(int k, int l, int m, int n,
void Phreeqc:: void Phreeqc::
cl1_space(int check, int l_n2d, int klm, int l_nklmd) cl1_space(int check, int l_n2d, int klm, int l_nklmd)
{ {
#ifdef SKIP
if (check == 1)
{
if (x_arg == NULL)
{
x_arg = (LDBLE*)PHRQ_malloc((size_t)(l_n2d * sizeof(LDBLE)));
}
else if (l_n2d > x_arg_max)
{
x_arg =
(LDBLE*)PHRQ_realloc(x_arg, (size_t)(l_n2d * sizeof(LDBLE)));
x_arg_max = l_n2d;
}
if (x_arg == NULL)
malloc_error();
zero_double(x_arg, l_n2d);
if (res_arg == NULL)
{
res_arg = (LDBLE*)PHRQ_malloc((size_t)((klm) * sizeof(LDBLE)));
}
else if (klm > res_arg_max)
{
res_arg =
(LDBLE*)PHRQ_realloc(res_arg,
(size_t)((klm) * sizeof(LDBLE)));
res_arg_max = klm;
}
if (res_arg == NULL)
malloc_error();
zero_double(res_arg, klm);
}
/* Make scratch space */
if (scratch == NULL)
{
scratch = (LDBLE*)PHRQ_malloc((size_t)l_nklmd * sizeof(LDBLE));
}
else if (l_nklmd > scratch_max)
{
scratch =
(LDBLE*)PHRQ_realloc(scratch, (size_t)l_nklmd * sizeof(LDBLE));
scratch_max = l_nklmd;
}
if (scratch == NULL)
malloc_error();
zero_double(scratch, l_nklmd);
#endif
if (l_n2d > x_arg_v.size()) if (l_n2d > x_arg_v.size())
{ {
x_arg_v.resize(l_n2d); x_arg_v.resize(l_n2d);
x_arg = &x_arg_v[0]; x_arg = &x_arg_v[0];
} }
memset(x_arg_v.data(), 0, sizeof(double) * (size_t)l_n2d); memset(x_arg_v.data(), 0, sizeof(double) * (size_t)l_n2d);
//zero_double(x_arg, l_n2d);
if (klm > res_arg_v.size()) if (klm > res_arg_v.size())
{ {
@ -911,7 +862,6 @@ cl1_space(int check, int l_n2d, int klm, int l_nklmd)
res_arg = &res_arg_v[0]; res_arg = &res_arg_v[0];
} }
memset(res_arg_v.data(), 0, sizeof(double) * (size_t)klm); memset(res_arg_v.data(), 0, sizeof(double) * (size_t)klm);
//zero_double(res_arg, klm);
if (l_nklmd > scratch_v.size()) if (l_nklmd > scratch_v.size())
{ {
@ -919,5 +869,4 @@ cl1_space(int check, int l_n2d, int klm, int l_nklmd)
scratch = &scratch_v[0]; scratch = &scratch_v[0];
} }
memset(scratch_v.data(), 0, sizeof(double) * (size_t)l_nklmd); memset(scratch_v.data(), 0, sizeof(double) * (size_t)l_nklmd);
//zero_double(scratch, l_nklmd);
} }

6
mainsubs.cpp
View File

@ -228,12 +228,6 @@ initialize(void)
// Allocate space for sit // Allocate space for sit
sit_init(); sit_init();
// Allocate zeros
zeros = (LDBLE *) PHRQ_malloc(sizeof(LDBLE));
if (zeros == NULL)
malloc_error();
zeros[0] = 0.0;
zeros_max = 1;
use_kinetics_limiter = false; use_kinetics_limiter = false;
return; return;

72
model.cpp
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@ -1023,14 +1023,8 @@ ineq(int in_kode)
/* /*
* Normalize column * Normalize column
*/ */
//space((void **) ((void *) &normal), count_unknowns, &normal_max, normal.resize((size_t)count_unknowns);
// sizeof(LDBLE)); std::fill(normal.begin(), normal.end(), 1.0);
normal_v.resize((size_t)count_unknowns);
normal = normal_v.data();
for (i = 0; i < count_unknowns; i++)
normal[i] = 1.0;
for (i = 0; i < count_unknowns; i++) for (i = 0; i < count_unknowns; i++)
{ {
@ -1126,38 +1120,14 @@ ineq(int in_kode)
*/ */
max_row_count = 2 * count_unknowns + 2; max_row_count = 2 * count_unknowns + 2;
max_column_count = count_unknowns + 2; max_column_count = count_unknowns + 2;
//space((void **) ((void *) &ineq_array), max_row_count * max_column_count, ineq_array.resize((size_t)max_row_count * (size_t)max_column_count);
// &ineq_array_max, sizeof(LDBLE)); back_eq.resize((size_t)max_row_count);
ineq_array_v.resize((size_t)max_row_count * (size_t)max_column_count); zero.resize((size_t)max_row_count);
ineq_array = ineq_array_v.data(); memset(zero.data(), 0, (size_t)max_row_count * sizeof(double));
res.resize((size_t)max_row_count);
//space((void **) ((void *) &back_eq), max_row_count, &back_eq_max, memset(res.data(), 0, (size_t)max_row_count * sizeof(double));
// sizeof(int)); delta1.resize((size_t)max_column_count);
back_eq_v.resize((size_t)max_row_count); memset(delta1.data(), 0,(size_t)max_column_count * sizeof(double));
back_eq = back_eq_v.data();
//space((void **) ((void *) &zero), max_row_count, &zero_max,
// sizeof(LDBLE));
//zero_double(zero, max_row_count);
zero_v.resize((size_t)max_row_count);
zero = zero_v.data();
memset(zero, 0, (size_t)max_row_count * sizeof(double));
//zero_double(zero, max_row_count);
//space((void **) ((void *) &res), max_row_count, &res_max, sizeof(LDBLE));
res_v.resize((size_t)max_row_count);
res = res_v.data();
memset(res, 0, (size_t)max_row_count * sizeof(double));
//zero_double(res, max_row_count);
//space((void **) ((void *) &delta1), max_column_count, &delta1_max,
// sizeof(LDBLE));
delta1_v.resize((size_t)max_column_count);
delta1 = delta1_v.data();
memset(delta1, 0,(size_t)max_column_count * sizeof(double));
//zero_double(delta1, max_column_count);
/* /*
* Copy equations to optimize into ineq_array * Copy equations to optimize into ineq_array
*/ */
@ -1723,7 +1693,7 @@ ineq(int in_kode)
if (debug_model == TRUE) if (debug_model == TRUE)
{ {
output_msg(sformatf( "\nA and B arrays:\n\n")); output_msg(sformatf( "\nA and B arrays:\n\n"));
array_print(ineq_array, l_count_rows, count_unknowns + 1, array_print(ineq_array.data(), l_count_rows, count_unknowns + 1,
max_column_count); max_column_count);
} }
/* /*
@ -1781,17 +1751,9 @@ ineq(int in_kode)
/* /*
* Allocate space for arrays * Allocate space for arrays
*/ */
//space((void **) ((void *) &cu), 2 * l_nklmd, &cu_max, sizeof(LDBLE)); cu.resize(2 * (size_t)l_nklmd);
cu_v.resize(2 * (size_t)l_nklmd); iu.resize(2 * (size_t)l_nklmd);
cu = cu_v.data(); is.resize(l_klmd);
//space((void **) ((void *) &iu), 2 * l_nklmd, &iu_max, sizeof(int));
iu_v.resize(2 * (size_t)l_nklmd);
iu = iu_v.data();
//space((void **) ((void *) &is), l_klmd, &is_max, sizeof(int));
is_v.resize(l_klmd);
is = is_v.data();
#ifdef SLNQ #ifdef SLNQ
slnq_array = slnq_array =
@ -1817,9 +1779,9 @@ ineq(int in_kode)
/* /*
* Call CL1 * Call CL1
*/ */
cl1(k, l, m, n, cl1(k, l, m, n, l_nklmd, l_n2d, ineq_array.data(),
l_nklmd, l_n2d, ineq_array, &l_kode, ineq_tol, &l_iter, delta1.data(), res.data(),
&l_kode, ineq_tol, &l_iter, delta1, res, &l_error, cu, iu, is, FALSE); &l_error, cu.data(), iu.data(), is.data(), FALSE);
/* Set return_kode */ /* Set return_kode */
if (l_kode == 1) if (l_kode == 1)
{ {

19
structures.cpp
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@ -308,25 +308,6 @@ clean_up(void)
line = (char *) free_check_null(line); line = (char *) free_check_null(line);
line_save = (char *) free_check_null(line_save); line_save = (char *) free_check_null(line_save);
zeros = (LDBLE *) free_check_null(zeros);
//scratch = (LDBLE *) free_check_null(scratch);
//x_arg = (LDBLE *) free_check_null(x_arg);
//res_arg = (LDBLE *) free_check_null(res_arg);
//normal = (LDBLE *) free_check_null(normal);
//ineq_array = (LDBLE *) free_check_null(ineq_array);
//back_eq = (int *) free_check_null(back_eq);
zero = (LDBLE *) free_check_null(zero);
//res = (LDBLE *) free_check_null(res);
//delta1 = (LDBLE *) free_check_null(delta1);
//cu = (LDBLE *) free_check_null(cu);
//iu = (int *) free_check_null(iu);
//is = (int *) free_check_null(is);
/* x_arg = res_arg = scratch = NULL; */
x_arg_max = res_arg_max = scratch_max = 0;
/* free user database name if defined */ /* free user database name if defined */
user_database = (char *) free_check_null(user_database); user_database = (char *) free_check_null(user_database);
//selected_output_file_name = //selected_output_file_name =

21
utilities.cpp
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@ -1992,27 +1992,6 @@ string_pad(const char *str, int i)
return (str_ptr); return (str_ptr);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void Phreeqc::
zero_double(LDBLE * target, int n)
/* ---------------------------------------------------------------------- */
{
int i;
if (n > zeros_max)
{
zeros = (LDBLE *) PHRQ_realloc(zeros, (size_t) (n * sizeof(LDBLE)));
if (zeros == NULL)
malloc_error();
for (i = zeros_max; i < n; i++)
{
zeros[i] = 0.0;
}
zeros_max = n;
}
memcpy((void *) target, (void *) zeros, (size_t) (n * sizeof(LDBLE)));
return;
}
/* ---------------------------------------------------------------------- */
int Phreeqc:: int Phreeqc::
get_input_errors() get_input_errors()
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */