vector calculate_value**

Phreeqc.cpp

@@ -982,9 +982,6 @@ void Phreeqc::init(void)
 	master_isotope			= NULL;
 	max_master_isotope		= MAX_ELTS;
 	initial_solution_isotopes = FALSE;
-	count_calculate_value	= 0;
-	calculate_value			= NULL;
-	max_calculate_value		= MAX_ELTS;
 	calculate_value_hash_table = NULL;	
 	count_isotope_ratio		= 0;
 	isotope_ratio			= 0;
@@ -2309,34 +2306,17 @@ Phreeqc::InternalCopy(const Phreeqc *pSrc)
 		}
 	}
 	initial_solution_isotopes = pSrc->initial_solution_isotopes;
-	/*
+
-	count_calculate_value	= 0;
+	for (int i = 0; i < pSrc->calculate_value.size(); i++)
-	calculate_value			= NULL;
-	max_calculate_value		= MAX_ELTS;
-	calculate_value_hash_table = NULL;	
-	*/
-	for (int i = 0; i < pSrc->count_calculate_value; i++)
 	{
-		struct calculate_value *calculate_value_ptr = calculate_value_store(pSrc->calculate_value[i]->name, FALSE);
+		struct calculate_value* calculate_value_ptr = calculate_value_store(pSrc->calculate_value[i]->name, FALSE);
-		//memcpy(calculate_value_ptr, pSrc->calculate_value[i], sizeof(struct calculate_value));
 		calculate_value_ptr->value = pSrc->calculate_value[i]->value;
-		//calculate_value_ptr->commands = NULL;
 		if (pSrc->calculate_value[i]->commands)
 		{
 			calculate_value_ptr->commands = string_duplicate(pSrc->calculate_value[i]->commands);
 		}
-		//calculate_value_ptr->new_def = TRUE;
-		//calculate_value_ptr->calculated = FALSE;
-		//calculate_value_ptr->linebase = NULL;
-		//calculate_value_ptr->varbase = NULL;
-		//calculate_value_ptr->loopbase = NULL;
 	}
-	/*
+
-	count_isotope_ratio		= 0;
-	isotope_ratio			= 0;
-	max_isotope_ratio		= MAX_ELTS;
-	isotope_ratio_hash_table = 0;	
-	*/
 	for (int i = 0; i < pSrc->count_isotope_ratio; i++)
 	{
 		struct isotope_ratio *isotope_ratio_ptr = isotope_ratio_store(pSrc->isotope_ratio[i]->name, FALSE);

Phreeqc.h

@@ -1731,9 +1731,7 @@ protected:
 	struct master_isotope **master_isotope;
 	int max_master_isotope;
 	int initial_solution_isotopes;
-	int count_calculate_value;
+	std::vector<struct calculate_value*> calculate_value;
-	struct calculate_value **calculate_value;
-	int max_calculate_value;
 	HashTable *calculate_value_hash_table;
 	int count_isotope_ratio;
 	struct isotope_ratio **isotope_ratio;

isotopes.cpp

@@ -892,11 +892,7 @@ punch_calculate_values(void)
 
 	if (current_selected_output->Get_calculate_values().size() == 0)
 		return OK;
-	//if (punch.in == FALSE || punch.calculate_values == FALSE)
+
-	//	return (OK);
-	//if (punch.count_calculate_values == 0)
-	//	return (OK);
-	//for (i = 0; i < punch.count_calculate_values; i++)
 	for (size_t i = 0; i < current_selected_output->Get_calculate_values().size(); i++)
 	{
 		result = MISSING;
@@ -1132,7 +1128,7 @@ calculate_values(void)
 	/*
 	 * initialize ratios as missing
 	 */
-	for (j = 0; j < count_calculate_value; j++)
+	for (j = 0; j < calculate_value.size(); j++)
 	{
 		calculate_value[j]->calculated = FALSE;
 		calculate_value[j]->value = MISSING;
@@ -1522,14 +1518,8 @@ calculate_value_store(const char *name, int replace_if_found)
 	}
 	else
 	{
-		n = count_calculate_value++;
+		n = (int)calculate_value.size();
-		/* make sure there is space in s */
+		calculate_value.resize((size_t)n+1);
-		if (count_calculate_value >= max_calculate_value)
-		{
-			space((void **) ((void *) &calculate_value),
-				  count_calculate_value, &max_calculate_value,
-				  sizeof(struct calculate_value *));
-		}
 		/* Make new calculate_value structure */
 		calculate_value[n] = calculate_value_alloc();
 		calculate_value_ptr = calculate_value[n];

mainsubs.cpp

@@ -177,11 +177,7 @@ initialize(void)
 #endif
 
 	/* calculate_value */
-	max_calculate_value = MAX_ELTS;
+	hcreate_multi((unsigned) MAX_ELTS,
-	count_calculate_value = 0;
-	space((void **) ((void *) &calculate_value), INIT, &max_calculate_value,
-		  sizeof(struct calculate_value *));
-	hcreate_multi((unsigned) max_calculate_value,
 				  &calculate_value_hash_table);
 
 	/* isotope_ratio */

structures.cpp

@@ -236,14 +236,11 @@ clean_up(void)
 	master_isotope_hash_table = NULL;
 
 	/* calculate_value */
-	for (i = 0; i < count_calculate_value; i++)
+	for (i = 0; i < (int) calculate_value.size(); i++)
 	{
 		calculate_value_free(calculate_value[i]);
-		calculate_value[i] =
+		calculate_value[i] = (struct calculate_value*)free_check_null(calculate_value[i]);
-			(struct calculate_value *) free_check_null(calculate_value[i]);
 	}
-	calculate_value =
-		(struct calculate_value **) free_check_null(calculate_value);
 	hdestroy_multi(calculate_value_hash_table);
 	calculate_value_hash_table = NULL;
 
@@ -334,7 +331,6 @@ clean_up(void)
 	llnl_count_bdot = 0;
 	llnl_count_co2_coefs = 0;
 
-	count_calculate_value = 0;
 	count_isotope_ratio = 0;
 	count_isotope_alpha = 0;
 

tidy.cpp

@@ -2227,7 +2227,6 @@ tidy_punch(void)
 
 		/* calculate_values */
 
-		//for (i = 0; i < punch.count_calculate_values; i++)
 		for (size_t i = 0; i < current_selected_output->Get_calculate_values().size(); i++)
 		{
 			std::pair< std::string, void *> &pair_ref = current_selected_output->Get_calculate_values()[i];