Finished with Exchange removing all P_INSTANCE I think.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5650 1feff8c3-07ed-0310-ac33-dd36852eb9cd

ExchComp.cxx

@@ -52,15 +52,15 @@ cxxExchComp::cxxExchComp(struct exch_comp * exch_comp_ptr, PHRQ_io *io)
 PHRQ_base(io),
 formula_totals(exch_comp_ptr->formula_totals), totals(exch_comp_ptr->totals)
 {
-	this->set_formula(exch_comp_ptr->formula);
+	this->Set_formula(exch_comp_ptr->formula);
 	moles = exch_comp_ptr->moles;
 	// totals in constructor
 	//formula_totals in constructor
 	la = exch_comp_ptr->la;
 	charge_balance = exch_comp_ptr->charge_balance;
-	this->set_phase_name(exch_comp_ptr->phase_name);
+	this->Set_phase_name(exch_comp_ptr->phase_name);
 	phase_proportion = exch_comp_ptr->phase_proportion;
-	this->set_rate_name(exch_comp_ptr->rate_name);
+	this->Set_rate_name(exch_comp_ptr->rate_name);
 	formula_z = exch_comp_ptr->formula_z;
 }
 
@@ -129,7 +129,7 @@ cxxExchComp::cxxExchComp(std::vector < cxxExchComp > &ec_vector,
 cxxExchComp::~cxxExchComp()
 {
 }
-
+#ifdef MOVE_TO_STRUCTURES
 struct master *
 cxxExchComp::get_master(PHREEQC_PTR_ARG)
 {
@@ -238,6 +238,7 @@ struct exch_comp *
 	}
 	return (exch_comp_ptr);
 }
+#endif
 
 void
 cxxExchComp::dump_xml(std::ostream & s_oss, unsigned int indent) const

ExchComp.h

@@ -17,10 +17,10 @@ class cxxExchComp: public PHRQ_base
 	cxxExchComp(struct exch_comp *, PHRQ_io *io=NULL);
 	 ~cxxExchComp();
 
-	struct master *get_master(PHREEQC_PTR_ARG);
+	//struct master *Get_master(PHREEQC_PTR_ARG);
 
-	static struct exch_comp *cxxExchComp2exch_comp(PHREEQC_PTR_ARG_COMMA std::map < std::string, cxxExchComp >
-												   &el);
+	//static struct exch_comp *cxxExchComp2exch_comp(PHREEQC_PTR_ARG_COMMA std::map < std::string, cxxExchComp >
+	//											   &el);
 
 	void dump_xml(std::ostream & os, unsigned int indent = 0) const;
 
@@ -28,108 +28,106 @@ class cxxExchComp: public PHRQ_base
 
 	void read_raw(CParser & parser, bool check=true);
 
-	const std::string &get_formula() const
+	const std::string &Get_formula() const
 	{
 		return this->formula;
 	}
-	void set_formula(char *cstring)
+	void Set_formula(char *cstring)
 	{
 		if (cstring != NULL)
 			this->formula = std::string(cstring);
 		else
 			this->formula.clear();
 	}
-	double get_moles() const
+	double Get_moles() const
 	{
 		return this->moles;
 	}
-	void set_moles(double d)
+	void Set_moles(double d)
 	{
 		this->moles = d;
 	}
-	double get_la() const
+	double Get_la() const
 	{
 		return this->la;
 	}
-	void set_la(double d)
+	void Set_la(double d)
 	{
 		this->la = d;
 	}
-	double get_charge_balance() const
+	double Get_charge_balance() const
 	{
 		return this->charge_balance;
 	}
-	void set_charge_balance(double d)
+	void Set_charge_balance(double d)
 	{
 		this->charge_balance = d;
 	}
-	const std::string &get_phase_name() const
+	const std::string &Get_phase_name() const
 	{
 		return this->phase_name;
 	}
-	void set_phase_name(char *cstring)
+	void Set_phase_name(char *cstring)
 	{
 		if (cstring != NULL)
 			this->phase_name = std::string(cstring);
 		else
 			this->phase_name.clear();
 	}
-	double get_phase_proportion() const
+	double Get_phase_proportion() const
 	{
 		return this->phase_proportion;
 	}
-	void set_phase_proportion(double d)
+	void Set_phase_proportion(double d)
 	{
 		this->phase_proportion = d;
 	}
-	const std::string &get_rate_name() const
+	const std::string &Get_rate_name() const
 	{
 		return this->rate_name;
 	}
-	void set_rate_name(char *cstring)
+	void Set_rate_name(char *cstring)
 	{
 		if (cstring != NULL)
 			this->rate_name = std::string(cstring);
 		else
 			this->rate_name.clear();
 	}
-	double get_formula_z() const
+	double Get_formula_z() const
 	{
 		return this->formula_z;
 	}
-	void set_formula_z(double d)
+	void Set_formula_z(double d)
 	{
 		this->formula_z = d;
 	}
-	void set_totals(struct elt_list *e_l, int count)
+	void Set_totals(struct elt_list *e_l, int count)
 	{
 		this->totals = cxxNameDouble(e_l, count);
 	}
-	void set_totals(struct elt_list *e_l)
+	void Set_totals(struct elt_list *e_l)
 	{
 		this->totals = cxxNameDouble(e_l);
 	}
-	void set_totals(cxxNameDouble nd)
+	void Set_totals(cxxNameDouble nd)
 	{
 		this->totals = nd;
 	}
-	void set_formula_totals(struct elt_list *e_l, int count)
+	void Set_formula_totals(struct elt_list *e_l, int count)
 	{
 		this->formula_totals = cxxNameDouble(e_l, count);
 	}
-	void set_formula_totals(struct elt_list *e_l)
+	void Set_formula_totals(struct elt_list *e_l)
 	{
 		this->formula_totals = cxxNameDouble(e_l);
 	}
-	void set_formula_totals(cxxNameDouble nd)
+	void Set_formula_totals(cxxNameDouble nd)
 	{
 		this->formula_totals = nd;
 	}
 
-	const cxxNameDouble & get_totals() const
-	{
-		return (this->totals);
-	};
+	const cxxNameDouble & Get_totals() const {return (this->totals);};
+	const cxxNameDouble & Get_formula_totals(void) const {return this->formula_totals;};
 
 
 	void add(const cxxExchComp & comp, double extensive);

Exchange.cxx

@@ -50,7 +50,7 @@ cxxNumKeyword(io)
 	for (i = 0; i < exchange_ptr->count_comps; i++)
 	{
 		cxxExchComp ec(&(exchange_ptr->comps[i]), this->Get_io());
-		std::string str(ec.get_formula());
+		std::string str(ec.Get_formula());
 		exchComps[str] = ec;
 	}
 
@@ -58,7 +58,7 @@ cxxNumKeyword(io)
 
 
 }
-cxxExchange::cxxExchange(PHREEQC_PTR_ARG_COMMA const std::map < int, cxxExchange > &entities,
+cxxExchange::cxxExchange(const std::map < int, cxxExchange > &entities,
 						 cxxMix & mix, int l_n_user, PHRQ_io *io):
 cxxNumKeyword(io)
 {
@@ -92,6 +92,7 @@ cxxNumKeyword(io)
 	}
 }
 
+#ifdef SKIP_OR_MOVE_TO_STRUCTURES
 cxxExchange::cxxExchange(PHREEQC_PTR_ARG_COMMA int l_n_user, PHRQ_io *io)
 	//
 	// constructor for cxxExchange from reaction calculation
@@ -116,23 +117,23 @@ cxxNumKeyword(io)
 		{
 			cxxExchComp ec(this->Get_io());
 			//char * formula;
-			ec.set_formula(P_INSTANCE_POINTER x[i]->exch_comp->formula);
+			ec.Set_formula(P_INSTANCE_POINTER x[i]->exch_comp->formula);
 			//double moles;
-			ec.set_moles(0.0);
+			ec.Set_moles(0.0);
 			//cxxNameDouble formula_totals;
-			ec.set_formula_totals(P_INSTANCE_POINTER x[i]->exch_comp->formula_totals);
+			ec.Set_formula_totals(P_INSTANCE_POINTER x[i]->exch_comp->formula_totals);
 			//cxxNameDouble totals; see below
 			//double la;
-			ec.set_la(P_INSTANCE_POINTER x[i]->master[0]->s->la);
+			ec.Set_la(P_INSTANCE_POINTER x[i]->master[0]->s->la);
 			//double charge_balance; see below
 			//char   *phase_name;
-			ec.set_phase_name(P_INSTANCE_POINTER x[i]->exch_comp->phase_name);
+			ec.Set_phase_name(P_INSTANCE_POINTER x[i]->exch_comp->phase_name);
 			//double phase_proportion;
-			ec.set_phase_proportion(P_INSTANCE_POINTER x[i]->exch_comp->phase_proportion);
+			ec.Set_phase_proportion(P_INSTANCE_POINTER x[i]->exch_comp->phase_proportion);
 			//char   *rate_name;
-			ec.set_rate_name(P_INSTANCE_POINTER x[i]->exch_comp->rate_name);
+			ec.Set_rate_name(P_INSTANCE_POINTER x[i]->exch_comp->rate_name);
 			//double formula_z;
-			ec.set_formula_z(P_INSTANCE_POINTER x[i]->exch_comp->formula_z);
+			ec.Set_formula_z(P_INSTANCE_POINTER x[i]->exch_comp->formula_z);
 
 			// calculate charge and totals
 			P_INSTANCE_POINTER count_elts = 0;
@@ -154,7 +155,7 @@ cxxNumKeyword(io)
 				P_INSTANCE_POINTER add_elt_list(P_INSTANCE_POINTER x[i]->master[0]->s->next_elt, 1e-20);
 			}
 			//double charge_balance
-			ec.set_charge_balance(charge);
+			ec.Set_charge_balance(charge);
 			//cxxNameDouble totals;
 			if (P_INSTANCE_POINTER count_elts > 0)
 			{
@@ -162,14 +163,15 @@ cxxNumKeyword(io)
 					  (size_t) sizeof(struct elt_list), P_INSTANCE_POINTER elt_list_compare);
 				P_INSTANCE_POINTER elt_list_combine();
 			}
-			ec.set_totals(P_INSTANCE_POINTER elt_list, P_INSTANCE_POINTER count_elts);
+			ec.Set_totals(P_INSTANCE_POINTER elt_list, P_INSTANCE_POINTER count_elts);
 
 			// add to comp list
-			std::string str(ec.get_formula());
+			std::string str(ec.Get_formula());
 			this->exchComps[str] = ec;
 		}
 	}
 }
+#endif
 
 cxxExchange::~cxxExchange()
 {
@@ -181,7 +183,7 @@ cxxExchange::get_related_phases()
 	for (std::map < std::string, cxxExchComp >::const_iterator it =
 		 this->exchComps.begin(); it != this->exchComps.end(); ++it)
 	{
-		if ((*it).second.get_phase_name().size() == 0)
+		if ((*it).second.Get_phase_name().size() == 0)
 			continue;
 		return (true);
 	}
@@ -194,13 +196,14 @@ cxxExchange::get_related_rate()
 	for (std::map < std::string, cxxExchComp >::const_iterator it =
 		 this->exchComps.begin(); it != this->exchComps.end(); ++it)
 	{
-		if ((*it).second.get_rate_name().size() == 0)
+		if ((*it).second.Get_rate_name().size() == 0)
 			continue;
 		return (true);
 	}
 	return (false);
 }
 
+#ifdef MOVE_TO_STRUCTURES
 struct exchange *
 cxxExchange::cxxExchange2exchange(PHREEQC_PTR_ARG)
 		//
@@ -223,6 +226,7 @@ cxxExchange::cxxExchange2exchange(PHREEQC_PTR_ARG)
 	exchange_ptr->comps = cxxExchComp::cxxExchComp2exch_comp(P_INSTANCE_COMMA this->exchComps);
 	return (exchange_ptr);
 }
+#endif
 
 void
 cxxExchange::dump_xml(std::ostream & s_oss, unsigned int indent) const
@@ -395,16 +399,16 @@ cxxExchange::read_raw(CParser & parser, bool check)
 				CParser reread(is, this->Get_io());
 				reread.set_echo_file(CParser::EO_NONE);
 				reread.set_echo_stream(CParser::EO_NONE);
-				if (this->exchComps.find(ec.get_formula()) != this->exchComps.end())
+				if (this->exchComps.find(ec.Get_formula()) != this->exchComps.end())
 				{
-					cxxExchComp & comp = this->exchComps.find(ec.get_formula())->second;
+					cxxExchComp & comp = this->exchComps.find(ec.Get_formula())->second;
 					comp.read_raw(reread, false);
 				}
 				else
 				{
 					cxxExchComp ec1(this->Get_io());
 					ec1.read_raw(reread, false);
-					std::string str(ec1.get_formula());
+					std::string str(ec1.Get_formula());
 					this->exchComps[str] = ec1;
 				}
 			}
@@ -559,8 +563,8 @@ cxxExchange::totalize()
 	for (std::map < std::string, cxxExchComp >::const_iterator it = exchComps.begin();
 		it != exchComps.end(); ++it)
 	{
-		this->totals.add_extensive((*it).second.get_totals(), 1.0);
-		this->totals.add("Charge", (*it).second.get_charge_balance());
+		this->totals.add_extensive((*it).second.Get_totals(), 1.0);
+		this->totals.add("Charge", (*it).second.Get_charge_balance());
 	}
 	return;
 }

Exchange.h

@@ -16,15 +16,15 @@ class cxxExchange:public cxxNumKeyword
 
 public:
 	cxxExchange(PHRQ_io *io=NULL);
-	cxxExchange(PHREEQC_PTR_ARG_COMMA int n_user, PHRQ_io *io=NULL);
+	//cxxExchange(PHREEQC_PTR_ARG_COMMA int n_user, PHRQ_io *io=NULL);
 	cxxExchange(struct exchange *, PHRQ_io *io=NULL);
-	cxxExchange(PHREEQC_PTR_ARG_COMMA const std::map < int, cxxExchange > &exchange_map,
+	cxxExchange(const std::map < int, cxxExchange > &exchange_map,
 		cxxMix & mx, int n_user, PHRQ_io *io=NULL);
 	~cxxExchange();
 
-	struct exchange *cxxExchange2exchange(PHREEQC_PTR_ARG);
+	//struct exchange *cxxExchange2exchange(PHREEQC_PTR_ARG);
 
-	struct exch_comp *cxxExchComp2exch_comp();
+	//struct exch_comp *cxxExchComp2exch_comp();
 
 	void dump_raw(std::ostream & s_oss, unsigned int indent) const;
 

Phreeqc.h

@@ -10,6 +10,7 @@
 #include <iostream>
 #include <fstream>
 #include <sstream>
+#include <map>
 #include <string.h>
 #include <stdlib.h>
 #include <ctype.h>
@@ -38,6 +39,9 @@ class cxxNameDouble;
 class cxxKinetics;
 class cxxMix;
 class cxxKineticsComp;
+class cxxExchange;
+class cxxExchComp;
+
 class Phreeqc
 {
 public:
@@ -1235,10 +1239,12 @@ extern void MergeFinalize(void);
 
 struct mix * cxxMix2mix(cxxMix *mx);
 struct kinetics *cxxKinetics2kinetics(cxxKinetics * kin);
-struct elt_list * cxxNameDouble2elt_list(cxxNameDouble * nd);
+struct elt_list * cxxNameDouble2elt_list(const cxxNameDouble * nd);
 struct kinetics_comp * cxxKineticsComp2kinetics_comp(std::list < cxxKineticsComp > * el);
-struct name_coef * cxxNameDouble2name_coef(cxxNameDouble * nd);
-
+struct name_coef * cxxNameDouble2name_coef(const cxxNameDouble * nd);
+struct exchange * cxxExchange2exchange(cxxExchange * ex);
+struct exch_comp * cxxExchComp2exch_comp(const std::map < std::string, cxxExchComp > * el);
+struct master * Get_exch_master(const cxxExchComp * ec);
 
 /* tally.c */
 

ReadClass.cxx

@@ -204,7 +204,8 @@ read_exchange_raw(void)
 
 	cxxExchange ex(&phrq_io);
 	ex.read_raw(parser);
-	struct exchange *exchange_ptr = ex.cxxExchange2exchange(PHREEQC_THIS);
+	//struct exchange *exchange_ptr = ex.cxxExchange2exchange(PHREEQC_THIS);
+	struct exchange *exchange_ptr = cxxExchange2exchange(&ex);
 	int n;
 
 	/*
@@ -1516,7 +1517,8 @@ read_exchange_modify(void)
 	entity.read_raw(parser, false);
 
 	// save entity
-	struct exchange *entity_ptr = entity.cxxExchange2exchange(PHREEQC_THIS);
+	//struct exchange *entity_ptr = entity.cxxExchange2exchange(PHREEQC_THIS);
+	struct exchange *entity_ptr = cxxExchange2exchange(&entity);
 	exchange_free(&(exchange[n]));
 	exchange_copy(entity_ptr, &(exchange[n]), entity_ptr->n_user);
 

StorageBin.cxx

@@ -1017,8 +1017,10 @@ cxxStorageBin::cxxStorageBin2phreeqc(PHREEQC_PTR_ARG_COMMA int n)
 		std::map < int, cxxExchange >::iterator it = this->Exchangers.find(n);
 		if (it != this->Exchangers.end())
 		{
-			struct exchange *exchange_ptr =
-				(it->second).cxxExchange2exchange(P_INSTANCE);
+			//struct exchange *exchange_ptr =
+			//	(it->second).cxxExchange2exchange(P_INSTANCE);
+			struct exchange *exchange_ptr = P_INSTANCE_POINTER cxxExchange2exchange(&it->second);
+
 			P_INSTANCE_POINTER exchange_copy(exchange_ptr, &P_INSTANCE_POINTER exchange[0], n);
 			P_INSTANCE_POINTER count_exchange++;
 			P_INSTANCE_POINTER exchange_free(exchange_ptr);
@@ -1262,7 +1264,8 @@ cxxStorageBin::cxxStorageBin2system(PHREEQC_PTR_ARG_COMMA int n)
 	// Exchangers
 	if (this->getExchange(n) != NULL)
 	{
-		system_ptr->exchange = (this->getExchange(n))->cxxExchange2exchange(P_INSTANCE);
+		//system_ptr->exchange = (this->getExchange(n))->cxxExchange2exchange(P_INSTANCE);
+		system_ptr->exchange = P_INSTANCE_POINTER cxxExchange2exchange(this->getExchange(n));
 	}
 	else
 	{