vector isotope_ratio

Phreeqc.cpp

@@ -980,9 +980,6 @@ void Phreeqc::init(void)
 	* ---------------------------------------------------------------------- */
 	initial_solution_isotopes = FALSE;
 	calculate_value_hash_table = NULL;	
-	count_isotope_ratio		= 0;
-	isotope_ratio			= 0;
-	max_isotope_ratio		= MAX_ELTS;
 	isotope_ratio_hash_table = 0;	
 	count_isotope_alpha		= 0;
 	isotope_alpha			= 0;
@@ -2308,7 +2305,7 @@ Phreeqc::InternalCopy(const Phreeqc *pSrc)
 		}
 	}
 
-	for (int i = 0; i < pSrc->count_isotope_ratio; i++)
+	for (int i = 0; i < (int)pSrc->isotope_ratio.size(); i++)
 	{
 		struct isotope_ratio *isotope_ratio_ptr = isotope_ratio_store(pSrc->isotope_ratio[i]->name, FALSE);
 		isotope_ratio_ptr->name = string_hsave(pSrc->isotope_ratio[i]->name);

Phreeqc.h

@@ -1729,9 +1729,7 @@ protected:
 	int initial_solution_isotopes;
 	std::vector<struct calculate_value*> calculate_value;
 	HashTable *calculate_value_hash_table;
-	int count_isotope_ratio;
+	std::vector<struct isotope_ratio*> isotope_ratio;
-	struct isotope_ratio **isotope_ratio;
-	int max_isotope_ratio;
 	HashTable *isotope_ratio_hash_table;
 	int count_isotope_alpha;
 	struct isotope_alpha **isotope_alpha;

basicsubs.cpp

@@ -4011,7 +4011,7 @@ iso_value(const char *total_name)
 	strcpy(token, "");
 	strcpy(my_total_name, total_name);
 	while (replace(" ","_",my_total_name));
-	for (j = 0; j < count_isotope_ratio; j++)
+	for (j = 0; j < (int)isotope_ratio.size(); j++)
 	{
 		if (isotope_ratio[j]->ratio == MISSING)
 			continue;
@@ -4025,7 +4025,7 @@ iso_value(const char *total_name)
 	strcat(token,"R(");
 	strcat(token,my_total_name);
 	strcat(token,")");
-	for (j = 0; j < count_isotope_ratio; j++)
+	for (j = 0; j < (int)isotope_ratio.size(); j++)
 	{
 		if (isotope_ratio[j]->ratio == MISSING)
 			continue;
@@ -4047,7 +4047,7 @@ iso_unit(const char *total_name)
 	strcpy(my_total_name, total_name);
 	while (replace(" ","_",my_total_name));
 	strcpy(unit, "unknown");
-	for (j = 0; j < count_isotope_ratio; j++)
+	for (j = 0; j < (int)isotope_ratio.size(); j++)
 	{
 		if (isotope_ratio[j]->ratio == MISSING)
 			continue;
@@ -4066,7 +4066,7 @@ iso_unit(const char *total_name)
 	strcat(token,"R(");
 	strcat(token,my_total_name);
 	strcat(token,")");
-	for (j = 0; j < count_isotope_ratio; j++)
+	for (j = 0; j < (int)isotope_ratio.size(); j++)
 	{
 		if (isotope_ratio[j]->ratio == MISSING)
 			continue;

isotopes.cpp

@@ -1011,7 +1011,7 @@ print_isotope_ratios(void)
 	output_msg(sformatf( "%25s\t%12s\t%15s\n\n", "Isotope Ratio",
 			   "Ratio", "Input Units"));
 
-	for (j = 0; j < count_isotope_ratio; j++)
+	for (j = 0; j < (int)isotope_ratio.size(); j++)
 	{
 		if (isotope_ratio[j]->ratio == MISSING)
 			continue;
@@ -1135,7 +1135,7 @@ calculate_values(void)
 	}
 	if (pr.isotope_ratios == TRUE)
 	{
-		for (j = 0; j < count_isotope_ratio; j++)
+		for (j = 0; j < (int)isotope_ratio.size(); j++)
 		{
 			isotope_ratio_ptr = isotope_ratio[j];
 			master_isotope_ptr =
@@ -1699,13 +1699,8 @@ isotope_ratio_store(const char *name, int replace_if_found)
 	}
 	else
 	{
-		n = count_isotope_ratio++;
+		n = (int)isotope_ratio.size();
-		/* make sure there is space in s */
+		isotope_ratio.resize((size_t)n + 1);
-		if (count_isotope_ratio >= max_isotope_ratio)
-		{
-			space((void **) ((void *) &isotope_ratio), count_isotope_ratio,
-				  &max_isotope_ratio, sizeof(struct isotope_ratio *));
-		}
 		/* Make new isotope_ratio structure */
 		isotope_ratio[n] = isotope_ratio_alloc();
 		isotope_ratio_ptr = isotope_ratio[n];

mainsubs.cpp

@@ -178,11 +178,7 @@ initialize(void)
 				  &calculate_value_hash_table);
 
 	/* isotope_ratio */
-	max_isotope_ratio = MAX_ELTS;
+	hcreate_multi((unsigned) MAX_ELTS, &isotope_ratio_hash_table);
-	count_isotope_ratio = 0;
-	space((void **) ((void *) &isotope_ratio), INIT, &max_isotope_ratio,
-		  sizeof(struct isotope_ratio *));
-	hcreate_multi((unsigned) max_isotope_ratio, &isotope_ratio_hash_table);
 
 	/* isotope_value */
 	max_isotope_alpha = MAX_ELTS;

structures.cpp

@@ -243,12 +243,12 @@ clean_up(void)
 	calculate_value_hash_table = NULL;
 
 	/* isotope_ratio */
-	for (i = 0; i < count_isotope_ratio; i++)
+	for (i = 0; i < (int)isotope_ratio.size(); i++)
 	{
 		isotope_ratio[i] =
 			(struct isotope_ratio *) free_check_null(isotope_ratio[i]);
 	}
-	isotope_ratio = (struct isotope_ratio **) free_check_null(isotope_ratio);
+	//isotope_ratio = (struct isotope_ratio **) free_check_null(isotope_ratio);
 	hdestroy_multi(isotope_ratio_hash_table);
 	isotope_ratio_hash_table = NULL;
 
@@ -328,7 +328,6 @@ clean_up(void)
 	llnl_count_bdot = 0;
 	llnl_count_co2_coefs = 0;
 
-	count_isotope_ratio = 0;
 	count_isotope_alpha = 0;
 
 	default_data_base = (char *) free_check_null(default_data_base);

tidy.cpp

@@ -5543,7 +5543,7 @@ tidy_isotope_ratios(void)
 	struct master_isotope *master_isotope_ptr;
 	struct calculate_value *calculate_value_ptr;
 
-	for (i = 0; i < count_isotope_ratio; i++)
+	for (i = 0; i < (int)isotope_ratio.size(); i++)
 	{
 		/*
 		 * Mark master species list as minor isotope