diff --git a/Phreeqc.cpp b/Phreeqc.cpp index 9c1e7f62..e561642e 100644 --- a/Phreeqc.cpp +++ b/Phreeqc.cpp @@ -1002,8 +1002,6 @@ void Phreeqc::init(void) //have_punch_name = FALSE; print_density = 0; print_viscosity = 0; - zeros = NULL; - zeros_max = 1; cell_pore_volume = 0; cell_volume = 0; cell_porosity = 0; @@ -1178,24 +1176,7 @@ void Phreeqc::init(void) /* model.cpp ------------------------------- */ gas_in = FALSE; 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 ------------------------------- */ forward_output_to_log = 0; /* phreeqc_files.cpp ------------------------------- */ @@ -1859,10 +1840,6 @@ Phreeqc::InternalCopy(const Phreeqc *pSrc) count_phases = 0; 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; for (int i = 0; i < pSrc->count_phases; i++) { diff --git a/Phreeqc.h b/Phreeqc.h index 7c395e54..530af68a 100644 --- a/Phreeqc.h +++ b/Phreeqc.h @@ -1144,7 +1144,6 @@ protected: int string_trim_right(char *str); int string_trim_left(char *str); static LDBLE under(LDBLE xval); - void zero_double(LDBLE * target, int n); int get_input_errors(void); int isamong(char c, const char *s_l); Address Hash_multi(HashTable * Table, const char *Key); @@ -1754,9 +1753,6 @@ protected: /* VP: Density End */ 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 cell_pore_volume; LDBLE cell_porosity; @@ -1865,12 +1861,8 @@ protected: /* model.cpp ------------------------------- */ int gas_in; LDBLE min_value; - LDBLE *normal, *ineq_array, *res, *cu, *zero, *delta1; - std::vector normal_v, ineq_array_v, res_v, cu_v, zero_v, delta1_v; - int *iu, *is, *back_eq; - std::vector 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; + std::vector normal, ineq_array, res, cu, zero, delta1; + std::vector iu, is, back_eq; /* phrq_io_output.cpp ------------------------------- */ int forward_output_to_log; diff --git a/cl1.cpp b/cl1.cpp index 362f1651..fa558fca 100644 --- a/cl1.cpp +++ b/cl1.cpp @@ -849,61 +849,12 @@ cl1(int k, int l, int m, int n, void Phreeqc:: 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()) { x_arg_v.resize(l_n2d); x_arg = &x_arg_v[0]; } memset(x_arg_v.data(), 0, sizeof(double) * (size_t)l_n2d); - //zero_double(x_arg, l_n2d); 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]; } memset(res_arg_v.data(), 0, sizeof(double) * (size_t)klm); - //zero_double(res_arg, klm); 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]; } memset(scratch_v.data(), 0, sizeof(double) * (size_t)l_nklmd); - //zero_double(scratch, l_nklmd); } diff --git a/mainsubs.cpp b/mainsubs.cpp index d5343258..877a3984 100644 --- a/mainsubs.cpp +++ b/mainsubs.cpp @@ -228,12 +228,6 @@ initialize(void) // Allocate space for sit 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; return; diff --git a/model.cpp b/model.cpp index 9498508e..dcb5736f 100644 --- a/model.cpp +++ b/model.cpp @@ -1023,14 +1023,8 @@ ineq(int in_kode) /* * Normalize column */ - //space((void **) ((void *) &normal), count_unknowns, &normal_max, - // sizeof(LDBLE)); - normal_v.resize((size_t)count_unknowns); - normal = normal_v.data(); - - for (i = 0; i < count_unknowns; i++) - normal[i] = 1.0; - + normal.resize((size_t)count_unknowns); + std::fill(normal.begin(), normal.end(), 1.0); for (i = 0; i < count_unknowns; i++) { @@ -1126,38 +1120,14 @@ ineq(int in_kode) */ max_row_count = 2 * count_unknowns + 2; max_column_count = count_unknowns + 2; - //space((void **) ((void *) &ineq_array), max_row_count * max_column_count, - // &ineq_array_max, sizeof(LDBLE)); - ineq_array_v.resize((size_t)max_row_count * (size_t)max_column_count); - ineq_array = ineq_array_v.data(); - - //space((void **) ((void *) &back_eq), max_row_count, &back_eq_max, - // sizeof(int)); - back_eq_v.resize((size_t)max_row_count); - 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); - + 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)); + res.resize((size_t)max_row_count); + memset(res.data(), 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)); /* * Copy equations to optimize into ineq_array */ @@ -1723,7 +1693,7 @@ ineq(int in_kode) if (debug_model == TRUE) { 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); } /* @@ -1781,17 +1751,9 @@ ineq(int in_kode) /* * Allocate space for arrays */ - //space((void **) ((void *) &cu), 2 * l_nklmd, &cu_max, sizeof(LDBLE)); - cu_v.resize(2 * (size_t)l_nklmd); - cu = cu_v.data(); - - //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(); + cu.resize(2 * (size_t)l_nklmd); + iu.resize(2 * (size_t)l_nklmd); + is.resize(l_klmd); #ifdef SLNQ slnq_array = @@ -1817,9 +1779,9 @@ ineq(int in_kode) /* * Call CL1 */ - cl1(k, l, m, n, - l_nklmd, l_n2d, ineq_array, - &l_kode, ineq_tol, &l_iter, delta1, res, &l_error, cu, iu, is, FALSE); + 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); /* Set return_kode */ if (l_kode == 1) { diff --git a/structures.cpp b/structures.cpp index e35089b7..6ffe4445 100644 --- a/structures.cpp +++ b/structures.cpp @@ -308,25 +308,6 @@ clean_up(void) line = (char *) free_check_null(line); 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 */ user_database = (char *) free_check_null(user_database); //selected_output_file_name = diff --git a/utilities.cpp b/utilities.cpp index c0bb7e19..49870995 100644 --- a/utilities.cpp +++ b/utilities.cpp @@ -1992,27 +1992,6 @@ string_pad(const char *str, int i) 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:: get_input_errors() /* ---------------------------------------------------------------------- */