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vector trxn.token

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This commit is contained in:
David Parkhurst 2021-03-16 13:19:51 -06:00
parent 83cfb298d6
commit 7d303de1b4
8 changed files with 19 additions and 53 deletions
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3
Phreeqc.cpp
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@ -763,7 +763,6 @@ void Phreeqc::init(void)
* Reaction work space * Reaction work space
*---------------------------------------------------------------------- */ *---------------------------------------------------------------------- */
// struct trxn; // struct trxn;
trxn.token = 0;
for (int i = 0; i < MAX_LOG_K_INDICES; i++) for (int i = 0; i < MAX_LOG_K_INDICES; i++)
{ {
trxn.logk[i] = 0; trxn.logk[i] = 0;
@ -773,7 +772,6 @@ void Phreeqc::init(void)
trxn.dz[i] = 0; trxn.dz[i] = 0;
} }
count_trxn = 0; count_trxn = 0;
max_trxn = MAX_TRXN;
mb_unknowns = NULL; mb_unknowns = NULL;
count_mb_unknowns = 0; count_mb_unknowns = 0;
@ -1896,7 +1894,6 @@ Phreeqc::InternalCopy(const Phreeqc *pSrc)
trxn.dz[i] = 0; trxn.dz[i] = 0;
} }
count_trxn = 0; count_trxn = 0;
max_trxn = MAX_TRXN;
*/ */
/* /*
mb_unknowns = NULL; mb_unknowns = NULL;

3
Phreeqc.h
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@ -1530,8 +1530,7 @@ protected:
*---------------------------------------------------------------------- */ *---------------------------------------------------------------------- */
struct reaction_temp trxn; /* structure array of working space while reading equations struct reaction_temp trxn; /* structure array of working space while reading equations
species names are in "temp_strings" */ species names are in "temp_strings" */
int count_trxn; /* number of reactants in trxn = position of next */ int count_trxn; /* number of reactants in trxn = position of next */
int max_trxn;
struct unknown_list *mb_unknowns; struct unknown_list *mb_unknowns;
int count_mb_unknowns; int count_mb_unknowns;

2
global_structures.h
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@ -813,7 +813,7 @@ struct reaction_temp
{ {
LDBLE logk[MAX_LOG_K_INDICES]; LDBLE logk[MAX_LOG_K_INDICES];
LDBLE dz[3]; LDBLE dz[3];
struct rxn_token_temp *token; std::vector<struct rxn_token_temp> token;
}; };
struct rxn_token_temp struct rxn_token_temp
{ /* data for equations, aq. species or minerals */ { /* data for equations, aq. species or minerals */

4
mainsubs.cpp
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@ -78,10 +78,6 @@ initialize(void)
stag_data->exch_f = 0; stag_data->exch_f = 0;
stag_data->th_m = 0; stag_data->th_m = 0;
stag_data->th_im = 0; stag_data->th_im = 0;
space((void **) ((void *) &trxn.token), INIT, &max_trxn,
sizeof(struct rxn_token_temp));
/* /*
* Create hash tables * Create hash tables
*/ */

7
parse.cpp
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@ -1025,11 +1025,8 @@ get_species(char **ptr)
char string[MAX_LENGTH]; char string[MAX_LENGTH];
int l; int l;
if (count_trxn + 1 >= max_trxn) if ((size_t) count_trxn + 1 > trxn.token.size())
{ trxn.token.resize((size_t)count_trxn + 1);
space((void **) ((void *) &(trxn.token)), count_trxn + 1, &max_trxn,
sizeof(struct rxn_token_temp));
}
/* coefficient */ /* coefficient */
if (get_coef(&(trxn.token[count_trxn].coef), ptr) == ERROR) if (get_coef(&(trxn.token[count_trxn].coef), ptr) == ERROR)
{ {

14
prep.cpp
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@ -2861,11 +2861,8 @@ add_potential_factor(void)
/* /*
* Make sure there is space * Make sure there is space
*/ */
if (count_trxn + 1 >= max_trxn) if ((size_t)count_trxn + 1 > trxn.token.size())
{ trxn.token.resize((size_t)count_trxn + 1);
space((void **) ((void *) &(trxn.token)), count_trxn + 1, &max_trxn,
sizeof(struct rxn_token_temp));
}
/* /*
* Include psi in mass action equation * Include psi in mass action equation
*/ */
@ -2958,11 +2955,8 @@ add_cd_music_factors(int n)
/* /*
* Make sure there is space * Make sure there is space
*/ */
if (count_trxn + 3 >= max_trxn) if ((size_t)count_trxn + 3 > trxn.token.size())
{ trxn.token.resize((size_t)count_trxn + 3);
space((void **) ((void *) &(trxn.token)), count_trxn + 3, &max_trxn,
sizeof(struct rxn_token_temp));
}
/* /*
* Include psi in mass action equation * Include psi in mass action equation
*/ */

25
structures.cpp
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@ -291,10 +291,8 @@ clean_up(void)
change_surf = (struct Change_Surf *) free_check_null(change_surf); change_surf = (struct Change_Surf *) free_check_null(change_surf);
/* miscellaneous work space */ /* miscellaneous work space */
//elt_list = (struct elt_list *) free_check_null(elt_list);
elt_list.clear(); elt_list.clear();
trxn.token = (struct rxn_token_temp *) free_check_null(trxn.token); trxn.token.clear();
mb_unknowns = (struct unknown_list *) free_check_null(mb_unknowns); mb_unknowns = (struct unknown_list *) free_check_null(mb_unknowns);
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);
@ -2620,11 +2618,8 @@ trxn_add(cxxChemRxn &r_ptr, LDBLE coef, int combine)
*/ */
for (size_t j = 0; j < r_ptr.Get_tokens().size(); j++) for (size_t j = 0; j < r_ptr.Get_tokens().size(); j++)
{ {
if (count_trxn + 1 >= max_trxn) if ((size_t)count_trxn + 1 > trxn.token.size())
{ trxn.token.resize((size_t)count_trxn + 1);
space((void **) ((void *) &(trxn.token)), count_trxn + 1,
&max_trxn, sizeof(struct rxn_token_temp));
}
trxn.token[count_trxn].name = r_ptr.Get_tokens()[j].name; trxn.token[count_trxn].name = r_ptr.Get_tokens()[j].name;
trxn.token[count_trxn].s = r_ptr.Get_tokens()[j].s; trxn.token[count_trxn].s = r_ptr.Get_tokens()[j].s;
trxn.token[count_trxn].coef = coef * r_ptr.Get_tokens()[j].coef; trxn.token[count_trxn].coef = coef * r_ptr.Get_tokens()[j].coef;
@ -2685,11 +2680,8 @@ trxn_add(struct reaction *r_ptr, LDBLE coef, int combine)
next_token = r_ptr->token; next_token = r_ptr->token;
while (next_token->s != NULL) while (next_token->s != NULL)
{ {
if (count_trxn + 1 >= max_trxn) if ((size_t)count_trxn + 1 > trxn.token.size())
{ trxn.token.resize((size_t)count_trxn + 1);
space((void **) ((void *) &(trxn.token)), count_trxn + 1,
&max_trxn, sizeof(struct rxn_token_temp));
}
trxn.token[count_trxn].name = next_token->s->name; trxn.token[count_trxn].name = next_token->s->name;
trxn.token[count_trxn].s = next_token->s; trxn.token[count_trxn].s = next_token->s;
trxn.token[count_trxn].coef = coef * next_token->coef; trxn.token[count_trxn].coef = coef * next_token->coef;
@ -2743,11 +2735,8 @@ trxn_add_phase(struct reaction *r_ptr, LDBLE coef, int combine)
next_token = r_ptr->token; next_token = r_ptr->token;
while (next_token->s != NULL || next_token->name != NULL) while (next_token->s != NULL || next_token->name != NULL)
{ {
if (count_trxn + 1 >= max_trxn) if ((size_t)count_trxn + 1 > trxn.token.size())
{ trxn.token.resize((size_t)count_trxn + 1);
space((void **) ((void *) &(trxn.token)), count_trxn + 1,
&max_trxn, sizeof(struct rxn_token_temp));
}
if (next_token->s != NULL) if (next_token->s != NULL)
{ {
trxn.token[count_trxn].name = next_token->s->name; trxn.token[count_trxn].name = next_token->s->name;

14
tidy.cpp
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@ -2873,11 +2873,8 @@ species_rxn_to_trxn(struct species *s_ptr)
trxn.token[i].unknown = NULL; trxn.token[i].unknown = NULL;
trxn.token[i].coef = s_ptr->rxn->token[i].coef; trxn.token[i].coef = s_ptr->rxn->token[i].coef;
count_trxn = i + 1; count_trxn = i + 1;
if (count_trxn + 1 >= max_trxn) if ((size_t)count_trxn + 1 > trxn.token.size())
{ trxn.token.resize((size_t)count_trxn + 1);
space((void **) ((void *) &(trxn.token)), count_trxn + 1,
&max_trxn, sizeof(struct rxn_token_temp));
}
} }
return (OK); return (OK);
} }
@ -2916,11 +2913,8 @@ phase_rxn_to_trxn(struct phase *phase_ptr, struct reaction *rxn_ptr)
trxn.token[i].unknown = NULL; trxn.token[i].unknown = NULL;
trxn.token[i].coef = rxn_ptr->token[i].coef; trxn.token[i].coef = rxn_ptr->token[i].coef;
count_trxn = i + 1; count_trxn = i + 1;
if (count_trxn + 1 >= max_trxn) if ((size_t)count_trxn + 1 > trxn.token.size())
{ trxn.token.resize((size_t)count_trxn + 1);
space((void **) ((void *) &(trxn.token)), count_trxn + 1,
&max_trxn, sizeof(struct rxn_token_temp));
}
} }
return (OK); return (OK);
} }