Merge commit '62c51bb410b3f9fd18cc5a21b5341e9652089d86'

src/phreeqcpp/PBasic.cpp

@@ -1443,6 +1443,7 @@ listtokens(FILE * f, tokenrec * l_buf)
 			output_msg("TRIM");
 			break;
 
+		case tokpad_:
 		case tokpad:
 			output_msg("PAD");
 			break;
@@ -2639,6 +2640,7 @@ factor(struct LOC_exec * LINK)
 		n.UU.sval = (parse_all) ? PhreeqcPtr->string_duplicate("unknown") : PhreeqcPtr->iso_unit(STR1.c_str());
 		break;
 
+	case tokpad_:
 	case tokpad:
 		n.stringval = true;
 		require(toklp, LINK);
@@ -2664,6 +2666,8 @@ factor(struct LOC_exec * LINK)
 		break;
 
 	case toksys:
+		{
+			int isort = 0;
 			require(toklp, LINK);
 			elt_name = stringfactor(STR1, LINK);
 			/*
@@ -2708,8 +2712,17 @@ factor(struct LOC_exec * LINK)
 				if (LINK->t->kind != tokvar || moles_varrec->stringvar != 0)
 					snerr(": can`t find moles of species");
 				LINK->t = LINK->t->next;
+				if (LINK->t != NULL && LINK->t->kind == tokcomma)
+				{
+					LINK->t = LINK->t->next;
+					isort = intexpr(LINK);
+					arg_num = 5;
+				}
+				else
+				{
 					arg_num = 4;
 				}
+			}
 			else
 			{
 				arg_num = 1;
@@ -2767,7 +2780,7 @@ factor(struct LOC_exec * LINK)
 			else
 			{
 				n.UU.val = PhreeqcPtr->system_total(elt_name, &count_species, &(names_arg),
-				&(types_arg), &(moles_arg));
+					&(types_arg), &(moles_arg), isort);
 			}
 
 			/*
@@ -2804,6 +2817,7 @@ factor(struct LOC_exec * LINK)
 				PhreeqcPtr->free_check_null(types_arg);
 				PhreeqcPtr->free_check_null(moles_arg);
 			}
+		}
 		break;
 
 	case tokedl_species:
@@ -7415,6 +7429,7 @@ const std::map<const std::string, PBasic::BASIC_TOKEN>::value_type temp_tokens[]
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("rtrim",              PBasic::tokrtrim),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("trim",               PBasic::toktrim),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("pad",                PBasic::tokpad),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("pad$",               PBasic::tokpad_),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("rxn",                PBasic::tokrxn),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("dist",               PBasic::tokdist),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("mol",                PBasic::tokmol),

src/phreeqcpp/PBasic.h

@@ -272,6 +272,7 @@ public:
 		tokrtrim,
 		toktrim,
 		tokpad,
+		tokpad_,
 		tokchange_por,
 		tokget_por,
 		tokosmotic,

src/phreeqcpp/Phreeqc.h

@@ -151,8 +151,9 @@ public:
 	LDBLE surf_total(const char *total_name, const char *surface_name);
 	LDBLE surf_total_no_redox(const char *total_name, const char *surface_name);
 	static int system_species_compare(const void *ptr1, const void *ptr2);
+	static int system_species_compare_name(const void* ptr1, const void* ptr2);
 	LDBLE system_total(const char *total_name, LDBLE * count, char ***names,
-		char ***types, LDBLE ** moles);
+		char ***types, LDBLE ** moles, int i);
 	std::string kinetics_formula(std::string kinetics_name, cxxNameDouble &stoichiometry);
 	std::string phase_formula(std::string phase_name, cxxNameDouble &stoichiometry);
 	std::string species_formula(std::string phase_name, cxxNameDouble &stoichiometry);

src/phreeqcpp/basicsubs.cpp

@@ -2980,7 +2980,7 @@ edl_species(const char *surf_name, LDBLE * count, char ***names, LDBLE ** moles,
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
 system_total(const char *total_name, LDBLE * count, char ***names,
-			 char ***types, LDBLE ** moles)
+			 char ***types, LDBLE ** moles, int isort)
 /* ---------------------------------------------------------------------- */
 {
 /*
@@ -3043,11 +3043,16 @@ system_total(const char *total_name, LDBLE * count, char ***names,
 	/*
 	 *   Sort system species
 	 */
-	if (count_sys > 1)
+	if (count_sys > 1 && isort == 0)
 	{
 		qsort(sys, (size_t) count_sys,
 			  (size_t) sizeof(struct system_species), system_species_compare);
 	}
+	else
+	{
+		qsort(sys, (size_t)count_sys,
+			(size_t)sizeof(struct system_species), system_species_compare_name);
+	}
 	/*
 	 * malloc space
 	 */
@@ -4211,6 +4216,16 @@ system_species_compare(const void *ptr1, const void *ptr2)
 		return (-1);
 	return (0);
 }
+int Phreeqc::
+system_species_compare_name(const void* ptr1, const void* ptr2)
+/* ---------------------------------------------------------------------- */
+{
+	const struct system_species* a, * b;
+
+	a = (const struct system_species*)ptr1;
+	b = (const struct system_species*)ptr2;
+	return (strncmp(a->name, b->name, MAX_LENGTH));
+}
 
 /* ---------------------------------------------------------------------- */
 int Phreeqc::