pyEQL 1.4.0rc9__cp312-cp312-macosx_11_0_arm64.whl

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.cxx

@@ -0,0 +1,1507 @@
+// StorageBin.cxx: implementation of the cxxStorageBin class.
+//
+//////////////////////////////////////////////////////////////////////
+#ifdef _DEBUG
+#pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
+#endif
+#include <fstream>
+#include <iostream>				// std::cout std::cerr
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
+
+#include "Utils.h"				// define first
+#include "Phreeqc.h"
+#include "NameDouble.h"
+#include "StorageBin.h"
+#include "SSassemblage.h"
+#include "Solution.h"
+#include "Exchange.h"
+#include "GasPhase.h"
+#include "cxxKinetics.h"
+#include "PPassemblage.h"
+#include "SS.h"
+#include "SSassemblage.h"
+#include "Surface.h"
+#include "cxxMix.h"
+#include "Reaction.h"
+#include "Temperature.h"
+#include "phqalloc.h"
+#include "Use.h"
+
+#if defined(PHREEQCI_GUI)
+#ifdef _DEBUG
+#define new DEBUG_NEW
+#undef THIS_FILE
+static char THIS_FILE[] = __FILE__;
+#endif
+#endif
+
+//////////////////////////////////////////////////////////////////////
+// Construction/Destruction
+//////////////////////////////////////////////////////////////////////
+cxxStorageBin::cxxStorageBin(PHRQ_io *io)
+:
+PHRQ_base(io)
+{
+	// default constructor for cxxStorageBin 
+	this->system.Set_io(io);
+	this->system.Initialize();
+}
+
+cxxStorageBin::cxxStorageBin(cxxUse &use_ref, PHRQ_io *io)
+:
+PHRQ_base(io)
+{
+	this->system.Set_io(io);
+	this->system.Initialize();
+	// Solution
+	if (use_ref.Get_solution_ptr() != NULL)
+	{
+		this->Set_Solution(use_ref.Get_solution_ptr()->Get_n_user(), use_ref.Get_solution_ptr());
+	}
+
+	// Exchange
+	if (use_ref.Get_exchange_ptr() != NULL)
+	{
+		this->Set_Exchange(use_ref.Get_exchange_ptr()->Get_n_user(), use_ref.Get_exchange_ptr());
+	}
+
+	// gas_phase
+	if (use_ref.Get_gas_phase_ptr() != NULL)
+	{
+		this->Set_GasPhase(use_ref.Get_gas_phase_ptr()->Get_n_user(), use_ref.Get_gas_phase_ptr());
+	}
+
+	// kinetics
+	if (use_ref.Get_kinetics_ptr() != NULL)
+	{
+		this->Set_Kinetics(use_ref.Get_kinetics_ptr()->Get_n_user(), use_ref.Get_kinetics_ptr());
+	}
+
+	// pp_assemblage
+	if (use_ref.Get_pp_assemblage_ptr() != NULL)
+	{
+		this->Set_PPassemblage(use_ref.Get_pp_assemblage_ptr()->Get_n_user(), use_ref.Get_pp_assemblage_ptr());
+	}
+
+	// ss_assemblage
+	if (use_ref.Get_ss_assemblage_ptr() != NULL)
+	{
+		this->Set_SSassemblage(use_ref.Get_ss_assemblage_ptr()->Get_n_user(), use_ref.Get_ss_assemblage_ptr());
+	}
+
+	// surface
+	if (use_ref.Get_surface_ptr() != NULL)
+	{
+		this->Set_Surface(use_ref.Get_surface_ptr()->Get_n_user(), use_ref.Get_surface_ptr());
+	}
+
+	// mix
+	if (use_ref.Get_mix_ptr() != NULL)
+	{
+		this->Set_Mix(use_ref.Get_mix_ptr()->Get_n_user(), use_ref.Get_mix_ptr());
+	}
+
+	// reaction
+	if (use_ref.Get_reaction_ptr() != NULL)
+	{
+		this->Set_Reaction(use_ref.Get_reaction_ptr()->Get_n_user(), use_ref.Get_reaction_ptr());
+	}
+
+	// reaction temperature
+	if (use_ref.Get_temperature_ptr() != NULL)
+	{
+		this->Set_Temperature(use_ref.Get_temperature_ptr()->Get_n_user(), use_ref.Get_temperature_ptr());
+	}
+
+	// reaction pressure
+	if (use_ref.Get_pressure_ptr() != NULL)
+	{
+		this->Set_Pressure(use_ref.Get_pressure_ptr()->Get_n_user(), use_ref.Get_pressure_ptr());
+	}
+}
+cxxStorageBin::~cxxStorageBin()
+{
+}
+void
+cxxStorageBin::Add(cxxStorageBin &src, int n)
+{
+	// Solution
+	if (src.Get_Solution(n) != NULL)
+	{
+		this->Set_Solution(n, src.Get_Solution(n));
+	}
+
+	// Exchange
+	if (src.Get_Exchange(n) != NULL)
+	{
+		this->Set_Exchange(n, src.Get_Exchange(n));
+	}
+
+	// gas_phase
+	if (src.Get_GasPhase(n) != NULL)
+	{
+		this->Set_GasPhase(n, src.Get_GasPhase(n));
+	}
+
+	// kinetics
+	if (src.Get_Kinetics(n) != NULL)
+	{
+		this->Set_Kinetics(n, src.Get_Kinetics(n));
+	}
+
+	// pp_assemblage
+	if (src.Get_PPassemblage(n) != NULL)
+	{
+		this->Set_PPassemblage(n, src.Get_PPassemblage(n));
+	}
+
+	// ss_assemblage
+	if (src.Get_SSassemblage(n) != NULL)
+	{
+		this->Set_SSassemblage(n, src.Get_SSassemblage(n));
+	}
+
+	// surface
+	if (src.Get_Surface(n) != NULL)
+	{
+		this->Set_Surface(n, src.Get_Surface(n));
+	}
+
+	// mix
+	if (src.Get_Mix(n) != NULL)
+	{
+		this->Set_Mix(n, src.Get_Mix(n));
+	}
+
+	// reaction
+	if (src.Get_Reaction(n) != NULL)
+	{
+		this->Set_Reaction(n, src.Get_Reaction(n));
+	}
+
+	// reaction temperature
+	if (src.Get_Temperature(n) != NULL)
+	{
+		this->Set_Temperature(n, src.Get_Temperature(n));
+	}
+
+	// reaction pressure
+	if (src.Get_Pressure(n) != NULL)
+	{
+		this->Set_Pressure(n, src.Get_Pressure(n));
+	}
+}
+void
+cxxStorageBin::Add_uz(cxxStorageBin &uzbin)
+{
+	cxxMix mx;
+	mx.Add(0, 1.0);
+	mx.Add(1, 1.0);
+
+	// Solution
+
+	// Exchange
+	{
+		std::map<int, cxxExchange>::iterator it_uz = uzbin.Get_Exchangers().begin();
+		std::map<int, cxxExchange> temp_map;
+		for (; it_uz != uzbin.Get_Exchangers().end(); it_uz++)
+		{
+			int n_user = it_uz->second.Get_n_user();
+			std::map < int, cxxExchange >::iterator it_sz = this->Exchangers.find(n_user);
+			if (it_sz == this->Exchangers.end())
+			{
+				this->Exchangers[n_user] = it_uz->second;
+			}
+			else
+			{
+				temp_map[0] = it_uz->second;
+				temp_map[1] = it_sz->second;
+				cxxExchange temp_entity(temp_map, mx, n_user);
+				this->Exchangers[n_user] = temp_entity;
+			}
+		}
+	}
+
+	// gas_phase
+	{
+		std::map<int, cxxGasPhase>::iterator it_uz = uzbin.Get_GasPhases().begin();
+		std::map<int, cxxGasPhase> temp_map;
+		for (; it_uz != uzbin.Get_GasPhases().end(); it_uz++)
+		{
+			int n_user = it_uz->second.Get_n_user();
+			std::map < int, cxxGasPhase >::iterator it_sz = this->GasPhases.find(n_user);
+			if (it_sz == this->GasPhases.end())
+			{
+				this->GasPhases[n_user] = it_uz->second;
+			}
+			else
+			{
+				temp_map[0] = it_uz->second;
+				temp_map[1] = it_sz->second;
+				cxxGasPhase temp_entity(temp_map, mx, n_user);
+				this->GasPhases[n_user] = temp_entity;
+			}
+		}
+	}
+
+	// kinetics
+	{
+		std::map<int, cxxKinetics>::iterator it_uz = uzbin.Get_Kinetics().begin();
+		std::map<int, cxxKinetics> temp_map;
+		for (; it_uz != uzbin.Get_Kinetics().end(); it_uz++)
+		{
+			int n_user = it_uz->second.Get_n_user();
+			std::map < int, cxxKinetics >::iterator it_sz = this->Kinetics.find(n_user);
+			if (it_sz == this->Kinetics.end())
+			{
+				this->Kinetics[n_user] = it_uz->second;
+			}
+			else
+			{
+				temp_map[0] = it_uz->second;
+				temp_map[1] = it_sz->second;
+				cxxKinetics temp_entity(temp_map, mx, n_user);
+				this->Kinetics[n_user] = temp_entity;
+			}
+		}
+	}
+
+	// pp_assemblage
+	{
+		std::map<int, cxxPPassemblage>::iterator it_uz = uzbin.Get_PPassemblages().begin();
+		std::map<int, cxxPPassemblage> temp_map;
+		for (; it_uz != uzbin.Get_PPassemblages().end(); it_uz++)
+		{
+			int n_user = it_uz->second.Get_n_user();
+			std::map < int, cxxPPassemblage >::iterator it_sz = this->PPassemblages.find(n_user);
+			if (it_sz == this->PPassemblages.end())
+			{
+				this->PPassemblages[n_user] = it_uz->second;
+			}
+			else
+			{
+				temp_map[0] = it_uz->second;
+				temp_map[1] = it_sz->second;
+				cxxPPassemblage temp_entity(temp_map, mx, n_user);
+				this->PPassemblages[n_user] = temp_entity;
+			}
+		}
+	}
+
+	// ss_assemblage
+	{
+		std::map<int, cxxSSassemblage>::iterator it_uz = uzbin.Get_SSassemblages().begin();
+		std::map<int, cxxSSassemblage> temp_map;
+		for (; it_uz != uzbin.Get_SSassemblages().end(); it_uz++)
+		{
+			int n_user = it_uz->second.Get_n_user();
+			std::map < int, cxxSSassemblage >::iterator it_sz = this->SSassemblages.find(n_user);
+			if (it_sz == this->SSassemblages.end())
+			{
+				this->SSassemblages[n_user] = it_uz->second;
+			}
+			else
+			{
+				temp_map[0] = it_uz->second;
+				temp_map[1] = it_sz->second;
+				cxxSSassemblage temp_entity(temp_map, mx, n_user);
+				this->SSassemblages[n_user] = temp_entity;
+			}
+		}
+	}
+
+	// surface
+	{
+		std::map<int, cxxSurface>::iterator it_uz = uzbin.Get_Surfaces().begin();
+		std::map<int, cxxSurface> temp_map;
+		for (; it_uz != uzbin.Get_Surfaces().end(); it_uz++)
+		{
+			int n_user = it_uz->second.Get_n_user();
+			std::map < int, cxxSurface >::iterator it_sz = this->Surfaces.find(n_user);
+			if (it_sz == this->Surfaces.end())
+			{
+				this->Surfaces[n_user] = it_uz->second;
+			}
+			else
+			{
+				temp_map[0] = it_uz->second;
+				temp_map[1] = it_sz->second;
+				cxxSurface temp_entity(temp_map, mx, n_user);
+				this->Surfaces[n_user] = temp_entity;
+			}
+		}
+	}
+
+	// mix
+
+	// reaction
+
+	// reaction temperature
+
+	// reaction pressure
+}
+void
+cxxStorageBin::Copy(int destination, int source)
+{
+	if (destination == source)
+		return;
+	this->Remove(destination);
+	// Solution
+	{
+		std::map < int, cxxSolution >::iterator it = this->Solutions.find(source);
+		if (it != this->Solutions.end())
+		{
+			this->Set_Solution(destination, &(it->second));
+		}
+	}
+
+	// Exchange
+	{
+		std::map < int, cxxExchange >::iterator it = this->Exchangers.find(source);
+		if (it != this->Exchangers.end())
+		{
+			this->Set_Exchange(destination, &(it->second));
+		}
+	}
+
+	// gas_phase
+	{
+		std::map < int, cxxGasPhase >::iterator it = this->GasPhases.find(source);
+		if (it != this->GasPhases.end())
+		{
+			this->Set_GasPhase(destination, &(it->second));
+		}
+	}
+	// kinetics
+	{
+		std::map < int, cxxKinetics >::iterator it = this->Kinetics.find(source);
+		if (it != this->Kinetics.end())
+		{
+			this->Set_Kinetics(destination, &(it->second));
+		}
+	}
+	// pp_assemblage
+	{
+		std::map < int, cxxPPassemblage >::iterator it = this->PPassemblages.find(source);
+		if (it != this->PPassemblages.end())
+		{
+			this->Set_PPassemblage(destination, &(it->second));
+		}
+	}
+	// ss_assemblage
+	{
+		std::map < int, cxxSSassemblage >::iterator it = this->SSassemblages.find(source);
+		if (it != this->SSassemblages.end())
+		{
+			this->Set_SSassemblage(destination, &(it->second));
+		}
+	}
+	// surface
+	{
+		std::map < int, cxxSurface >::iterator it = this->Surfaces.find(source);
+		if (it != this->Surfaces.end())
+		{
+			this->Set_Surface(destination, &(it->second));
+		}
+	}
+	// mix
+	{
+		std::map < int, cxxMix >::iterator it =	this->Mixes.find(source);
+		if (it != this->Mixes.end())
+		{
+			this->Set_Mix(destination, &(it->second));
+		}
+	}
+	// reaction
+	{
+		std::map < int, cxxReaction >::iterator it = this->Reactions.find(source);
+		if (it != this->Reactions.end())
+		{
+			this->Set_Reaction(destination, &(it->second));
+		}
+	}
+	// reaction temperature
+	{
+		std::map < int, cxxTemperature >::iterator it = this->Temperatures.find(source);
+		if (it != this->Temperatures.end())
+		{
+			this->Set_Temperature(destination, &(it->second));
+		}
+	}
+
+	// reaction pressure
+	{
+		this->Set_Pressure(destination, Utilities::Rxn_find(this->Pressures, source));
+	}
+}
+
+cxxSolution *
+cxxStorageBin::Get_Solution(int n_user)
+{
+	if (this->Solutions.find(n_user) != this->Solutions.end())
+	{
+		return (&(this->Solutions.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_Solution(int n_user, cxxSolution * entity)
+{
+	if (entity == NULL)
+		return;
+	Solutions[n_user] = *entity;
+	Solutions.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_Solution(int n_user, cxxSolution & entity)
+{
+	Solutions[n_user] = entity;
+	Solutions.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_Solution(int n_user)
+{
+	Solutions.erase(n_user);
+}
+
+cxxExchange *
+cxxStorageBin::Get_Exchange(int n_user)
+{
+	if (this->Exchangers.find(n_user) != this->Exchangers.end())
+	{
+		return (&(this->Exchangers.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_Exchange(int n_user, cxxExchange * entity)
+{
+	if (entity == NULL)
+		return;
+	Exchangers[n_user] = *entity;
+	Exchangers.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_Exchange(int n_user, cxxExchange & entity)
+{
+	Exchangers[n_user] = entity;
+	Exchangers.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_Exchange(int n_user)
+{
+	Exchangers.erase(n_user);
+}
+
+cxxPPassemblage *
+cxxStorageBin::Get_PPassemblage(int n_user)
+{
+	if (this->PPassemblages.find(n_user) != this->PPassemblages.end())
+	{
+		return (&(this->PPassemblages.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_PPassemblage(int n_user, cxxPPassemblage * entity)
+{
+	if (entity == NULL)
+		return;
+	PPassemblages[n_user] = *entity;
+	PPassemblages.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_PPassemblage(int n_user, cxxPPassemblage & entity)
+{
+	PPassemblages[n_user] = entity;
+	PPassemblages.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_PPassemblage(int n_user)
+{
+	PPassemblages.erase(n_user);
+}
+
+cxxGasPhase *
+cxxStorageBin::Get_GasPhase(int n_user)
+{
+	if (this->GasPhases.find(n_user) != this->GasPhases.end())
+	{
+		return (&(this->GasPhases.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_GasPhase(int n_user, cxxGasPhase * entity)
+{
+	if (entity == NULL)
+		return;
+	GasPhases[n_user] = *entity;
+	GasPhases.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_GasPhase(int n_user, cxxGasPhase & entity)
+{
+	GasPhases[n_user] = entity;
+	GasPhases.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_GasPhase(int n_user)
+{
+	GasPhases.erase(n_user);
+}
+
+cxxSSassemblage *
+cxxStorageBin::Get_SSassemblage(int n_user)
+{
+	if (this->SSassemblages.find(n_user) != this->SSassemblages.end())
+	{
+		return (&(this->SSassemblages.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_SSassemblage(int n_user, cxxSSassemblage * entity)
+{
+	if (entity == NULL)
+		return;
+	SSassemblages[n_user] = *entity;
+	SSassemblages.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_SSassemblage(int n_user, cxxSSassemblage & entity)
+{
+	SSassemblages[n_user] = entity;
+	SSassemblages.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_SSassemblage(int n_user)
+{
+	SSassemblages.erase(n_user);
+}
+
+cxxKinetics *
+cxxStorageBin::Get_Kinetics(int n_user)
+{
+	if (this->Kinetics.find(n_user) != this->Kinetics.end())
+	{
+		return (&(this->Kinetics.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_Kinetics(int n_user, cxxKinetics * entity)
+{
+	if (entity == NULL)
+		return;
+	Kinetics[n_user] = *entity;
+	Kinetics.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_Kinetics(int n_user, cxxKinetics & entity)
+{
+	Kinetics[n_user] = entity;
+	Kinetics.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_Kinetics(int n_user)
+{
+	Kinetics.erase(n_user);
+}
+
+cxxSurface *
+cxxStorageBin::Get_Surface(int n_user)
+{
+	if (this->Surfaces.find(n_user) != this->Surfaces.end())
+	{
+		return (&(this->Surfaces.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_Surface(int n_user, cxxSurface * entity)
+{
+	if (entity == NULL)
+		return;
+	Surfaces[n_user] = *entity;
+	Surfaces.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_Surface(int n_user, cxxSurface & entity)
+{
+	Surfaces[n_user] = entity;
+	Surfaces.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_Surface(int n_user)
+{
+	Surfaces.erase(n_user);
+}
+
+cxxMix *
+cxxStorageBin::Get_Mix(int n_user)
+{
+	if (this->Mixes.find(n_user) != this->Mixes.end())
+	{
+		return (&(this->Mixes.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_Mix(int n_user, cxxMix * entity)
+{
+	if (entity == NULL)
+		return;
+	Mixes[n_user] = *entity;
+	Mixes.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_Mix(int n_user, cxxMix & entity)
+{
+	Mixes[n_user] = entity;
+	Mixes.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_Mix(int n_user)
+{
+	Mixes.erase(n_user);
+}
+
+cxxReaction *
+cxxStorageBin::Get_Reaction(int n_user)
+{
+	if (this->Reactions.find(n_user) != this->Reactions.end())
+	{
+		return (&(this->Reactions.find(n_user)->second));
+	}
+	return (NULL);
+}
+void 
+cxxStorageBin::Set_Reaction(int n_user, cxxReaction * entity)
+{
+	if (entity == NULL)
+		return;
+	Reactions[n_user] = *entity;
+	Reactions.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_Reaction(int n_user, cxxReaction & entity)
+{
+	Reactions[n_user] = entity;
+	Reactions.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_Reaction(int n_user)
+{
+	Reactions.erase(n_user);
+}
+
+cxxTemperature *
+cxxStorageBin::Get_Temperature(int n_user)
+{
+	if (this->Temperatures.find(n_user) != this->Temperatures.end())
+	{
+		return (&(this->Temperatures.find(n_user)->second));
+	}
+	return (NULL);
+}
+
+void 
+cxxStorageBin::Set_Temperature(int n_user, cxxTemperature * entity)
+{
+	if (entity == NULL)
+		return;
+	Temperatures[n_user] = *entity;
+	Temperatures.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Set_Temperature(int n_user, cxxTemperature & entity)
+{
+	Temperatures[n_user] = entity;
+	Temperatures.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+cxxStorageBin::Remove_Temperature(int n_user)
+{
+	Temperatures.erase(n_user);
+}
+
+cxxPressure *
+cxxStorageBin::Get_Pressure(int n_user)
+{
+	return Utilities::Rxn_find(this->Pressures, n_user);
+}
+
+void
+cxxStorageBin::Set_Pressure(int n_user, cxxPressure * entity)
+{
+	if (entity == NULL)
+		return;
+	Pressures[n_user] = *entity;
+	Pressures.find(n_user)->second.Set_n_user_both(n_user);
+}
+void
+cxxStorageBin::Set_Pressure(int n_user, cxxPressure & entity)
+{
+	Pressures[n_user] = entity;
+	Pressures.find(n_user)->second.Set_n_user_both(n_user);
+}
+void 
+
+cxxStorageBin::Remove_Pressure(int n_user)
+{
+	Pressures.erase(n_user);
+}
+
+std::map < int, cxxSolution > &
+cxxStorageBin::Get_Solutions()
+{
+	return this->Solutions;
+}
+std::map < int, cxxExchange > &
+cxxStorageBin::Get_Exchangers()
+{
+	return this->Exchangers;
+}
+std::map < int, cxxGasPhase > &
+cxxStorageBin::Get_GasPhases() 
+{
+	return this->GasPhases;
+}
+std::map < int, cxxKinetics > &
+cxxStorageBin::Get_Kinetics()
+{
+	return this->Kinetics;
+}
+std::map < int, cxxPPassemblage > &
+cxxStorageBin::Get_PPassemblages()
+{
+	return this->PPassemblages;
+}
+std::map < int, cxxSSassemblage > &
+cxxStorageBin::Get_SSassemblages()
+{
+	return this->SSassemblages;
+}
+std::map < int, cxxSurface > &
+cxxStorageBin::Get_Surfaces()
+{
+	return this->Surfaces;
+}
+std::map < int, cxxMix > &
+cxxStorageBin::Get_Mixes()
+{
+	return this->Mixes;
+}
+std::map < int, cxxReaction > &
+cxxStorageBin::Get_Reactions()
+{
+	return this->Reactions;
+}
+std::map < int, cxxTemperature > &
+cxxStorageBin::Get_Temperatures()
+{
+	return this->Temperatures;
+}
+std::map < int, cxxPressure > &
+cxxStorageBin::Get_Pressures()
+{
+	return this->Pressures;
+}
+void
+cxxStorageBin::dump_raw(std::ostream & s_oss, unsigned int indent) const
+{
+	// Dump all data
+	s_oss.precision(DBL_DIG - 1);
+
+	// Solutions
+	Utilities::Rxn_dump_raw(Solutions, s_oss, indent);
+
+	// Exchange
+	Utilities::Rxn_dump_raw(Exchangers, s_oss, indent);
+
+	// Gas Phases
+	Utilities::Rxn_dump_raw(GasPhases, s_oss, indent);
+
+	// Kinetics
+	Utilities::Rxn_dump_raw(Kinetics, s_oss, indent);
+
+	// PPassemblage
+	Utilities::Rxn_dump_raw(PPassemblages, s_oss, indent);
+
+	// SSassemblage
+	Utilities::Rxn_dump_raw(SSassemblages, s_oss, indent);
+
+	// Surface
+	Utilities::Rxn_dump_raw(Surfaces, s_oss, indent);
+
+	// Mix
+	Utilities::Rxn_dump_raw(Mixes, s_oss, indent);
+
+	// Reactions
+	Utilities::Rxn_dump_raw(Reactions, s_oss, indent);
+
+	// Temperature
+	Utilities::Rxn_dump_raw(Temperatures, s_oss, indent);
+}
+
+void
+cxxStorageBin::dump_raw(std::ostream & s_oss, int n, unsigned int indent, int *n_out)
+{
+	// Dump one user number, optionally change number from n to n_out
+	int n_user_local = (n_out != NULL) ? *n_out : n;
+	s_oss.precision(DBL_DIG - 1);
+
+	// Solutions
+	if (this->Get_Solution(n) != NULL)
+	{
+		this->Get_Solution(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// Exchange
+	if (this->Get_Exchange(n) != NULL)
+	{
+		this->Get_Exchange(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// Gas Phases
+	if (this->Get_GasPhase(n) != NULL)
+	{
+		this->Get_GasPhase(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// Kinetics
+	if (this->Get_Kinetics(n) != NULL)
+	{
+		this->Get_Kinetics(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// PPassemblage
+	if (this->Get_PPassemblage(n) != NULL)
+	{
+		this->Get_PPassemblage(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// SSassemblage
+	if (this->Get_SSassemblage(n) != NULL)
+	{
+		this->Get_SSassemblage(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// Surface
+	if (this->Get_Surface(n) != NULL)
+	{
+		this->Get_Surface(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// Mix
+	if (this->Get_Mix(n) != NULL)
+	{
+		this->Get_Mix(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// Reaction
+	if (this->Get_Reaction(n) != NULL)
+	{
+		this->Get_Reaction(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+
+	// Temperature
+	if (this->Get_Temperature(n) != NULL)
+	{
+		this->Get_Temperature(n)->dump_raw(s_oss, indent, &n_user_local);
+	}
+}
+
+void
+cxxStorageBin::dump_raw_range(std::ostream & s_oss, int start, int end, unsigned int indent) const
+{
+	// Dump all data
+	s_oss.precision(DBL_DIG - 1);
+
+	// Solutions
+	Utilities::Rxn_dump_raw_range(Solutions, s_oss, start, end, indent);
+
+	// Exchange
+	Utilities::Rxn_dump_raw_range(Exchangers, s_oss, start, end, indent);
+
+	// Gas Phases
+	Utilities::Rxn_dump_raw_range(GasPhases, s_oss, start, end, indent);
+
+	// Kinetics
+	Utilities::Rxn_dump_raw_range(Kinetics, s_oss, start, end, indent);
+
+	// PPassemblage
+	Utilities::Rxn_dump_raw_range(PPassemblages, s_oss, start, end, indent);
+
+	// SSassemblage
+	Utilities::Rxn_dump_raw_range(SSassemblages, s_oss, start, end, indent);
+
+	// Surface
+	Utilities::Rxn_dump_raw_range(Surfaces, s_oss, start, end, indent);
+
+	// Mix
+	Utilities::Rxn_dump_raw_range(Mixes, s_oss, start, end, indent);
+
+	// Reactions
+	Utilities::Rxn_dump_raw_range(Reactions, s_oss, start, end, indent);
+
+	// Temperature
+	Utilities::Rxn_dump_raw_range(Temperatures, s_oss, start, end, indent);
+}
+
+void
+cxxStorageBin::read_raw(CParser & parser)
+{
+	PHRQ_io::LINE_TYPE i;
+	while ((i =
+			parser.check_line("StorageBin read_raw", false, true, true,
+							  true)) != PHRQ_io::LT_KEYWORD)
+	{
+		if (i == PHRQ_io::LT_EOF)
+			return;				// PHRQ_io::LT_EOF;
+	}
+
+	for (;;)
+	{
+		switch (parser.next_keyword())
+		{
+		case Keywords::KEY_END:
+		case Keywords::KEY_NONE:
+			goto END_OF_SIMULATION_INPUT;
+			break;
+		case Keywords::KEY_SOLUTION_RAW:
+			{
+				cxxSolution entity(this->Get_io());
+				entity.read_raw(parser);
+				Solutions[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_SOLUTION_MODIFY:
+			{
+				Utilities::SB_read_modify(this->Solutions, parser);
+			}
+			break;
+		case Keywords::KEY_EXCHANGE_RAW:
+			{
+				cxxExchange entity(this->Get_io());
+				entity.read_raw(parser);
+				Exchangers[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_EXCHANGE_MODIFY:
+			{
+				Utilities::SB_read_modify(this->Exchangers, parser);
+			}
+			break;
+		case Keywords::KEY_GAS_PHASE_RAW:
+			{
+				cxxGasPhase entity(this->Get_io());
+				entity.read_raw(parser);
+				GasPhases[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_GAS_PHASE_MODIFY:
+			{
+				Utilities::SB_read_modify(this->GasPhases, parser);
+			}
+			break;
+		case Keywords::KEY_KINETICS_RAW:
+			{
+				cxxKinetics entity(this->Get_io());
+				entity.read_raw(parser);
+				Kinetics[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_KINETICS_MODIFY:
+			{
+				Utilities::SB_read_modify(this->Kinetics, parser);
+			}
+			break;
+		case Keywords::KEY_EQUILIBRIUM_PHASES_RAW:
+			{
+				cxxPPassemblage entity(this->Get_io());
+				entity.read_raw(parser);
+				PPassemblages[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_EQUILIBRIUM_PHASES_MODIFY:
+			{
+				Utilities::SB_read_modify(this->PPassemblages, parser);
+			}
+			break;
+		case Keywords::KEY_SOLID_SOLUTIONS_RAW:
+			{
+				cxxSSassemblage entity(this->Get_io());
+				entity.read_raw(parser);
+				SSassemblages[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_SOLID_SOLUTIONS_MODIFY:
+			{
+				Utilities::SB_read_modify(this->SSassemblages, parser);
+			}
+			break;
+		case Keywords::KEY_SURFACE_RAW:
+			{
+				cxxSurface entity(this->Get_io());
+				entity.read_raw(parser);
+				Surfaces[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_SURFACE_MODIFY:
+			{
+				Utilities::SB_read_modify(this->Surfaces, parser);
+			}
+			break;
+		case Keywords::KEY_REACTION_TEMPERATURE_RAW:
+			{
+				cxxTemperature entity(this->Get_io());
+				entity.read_raw(parser);
+				Temperatures[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_REACTION_RAW:
+			{
+				cxxReaction entity;
+				entity.read_raw(parser, true);
+				Reactions[entity.Get_n_user()] = entity;
+			}
+			break;
+		case Keywords::KEY_REACTION_MODIFY:
+		{
+			Utilities::SB_read_modify(this->Reactions, parser);
+		}
+		break;
+		case Keywords::KEY_MIX_RAW:
+			{
+				cxxMix entity;
+				entity.read_raw(parser);
+				Mixes[entity.Get_n_user()] = entity;
+			}
+			break;
+		default:
+			{
+				for (;;)
+				{
+					PHRQ_io::LINE_TYPE lt;
+					lt = parser.check_line("read_raw", false, true, true, false);
+					if (lt == PHRQ_io::LT_KEYWORD)
+						break;
+					if (lt == PHRQ_io::LT_EOF)
+						goto END_OF_SIMULATION_INPUT;
+				}
+			}
+			break;
+		}
+	}
+
+  END_OF_SIMULATION_INPUT:
+	return;						//PHRQ_io::LT_OK;
+}
+
+int
+cxxStorageBin::read_raw_keyword(CParser & parser)
+{
+	PHRQ_io::LINE_TYPE i;
+	int entity_number = -999;
+
+	switch (parser.next_keyword())
+	{
+	case Keywords::KEY_NONE:
+	case Keywords::KEY_END:
+		while ((i =
+				parser.check_line("StorageBin read_raw_keyword", false, true,
+								  true, true)) != PHRQ_io::LT_KEYWORD)
+		{
+			if (i == PHRQ_io::LT_EOF)
+				break;			// PHRQ_io::LT_EOF;
+		}
+		break;
+
+	case Keywords::KEY_SOLUTION_RAW:
+		{
+			cxxSolution entity(this->Get_io());
+			entity.read_raw(parser);
+			Solutions[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_EXCHANGE_RAW:
+		{
+			cxxExchange entity(this->Get_io());
+			entity.read_raw(parser);
+			Exchangers[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_GAS_PHASE_RAW:
+		{
+			cxxGasPhase entity(this->Get_io());
+			entity.read_raw(parser);
+			GasPhases[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_KINETICS_RAW:
+		{
+			cxxKinetics entity(this->Get_io());
+			entity.read_raw(parser);
+			Kinetics[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_EQUILIBRIUM_PHASES_RAW:
+		{
+			cxxPPassemblage entity(this->Get_io());
+			entity.read_raw(parser);
+			PPassemblages[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_SOLID_SOLUTIONS_RAW:
+		{
+			cxxSSassemblage entity(this->Get_io());
+			entity.read_raw(parser);
+			SSassemblages[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_SURFACE_RAW:
+		{
+			cxxSurface entity(this->Get_io());
+			entity.read_raw(parser);
+			Surfaces[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_REACTION_TEMPERATURE_RAW:
+		{
+			cxxTemperature entity(this->Get_io());
+			entity.read_raw(parser);
+			Temperatures[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_REACTION_RAW:
+		{
+			cxxReaction entity;
+			entity.read_raw(parser, true);
+			Reactions[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	case Keywords::KEY_MIX_RAW:
+		{
+			cxxMix entity;
+			entity.read_raw(parser);
+			Mixes[entity.Get_n_user()] = entity;
+			entity_number = entity.Get_n_user();
+		}
+		break;
+
+	default:
+		break;
+	}
+	return (entity_number);		//PHRQ_io::LT_OK;
+}
+
+void
+cxxStorageBin::Remove(int n)
+{
+	// Solution
+	this->Solutions.erase(n);
+
+	// Exchanger
+	this->Exchangers.erase(n);
+
+	// GasPhase
+	this->GasPhases.erase(n);
+
+	// Kinetics
+	this->Kinetics.erase(n);
+
+	// PPassemblage
+	this->PPassemblages.erase(n);
+
+	// SSassemblage
+	this->SSassemblages.erase(n);
+
+	// Surface
+	this->Surfaces.erase(n);
+
+	// Mixes
+	this->Mixes.erase(n);
+
+	// Reactions
+	this->Reactions.erase(n);
+
+	// Temperature
+	this->Temperatures.erase(n);
+
+	// Pressure
+	this->Pressures.erase(n);
+}
+void
+cxxStorageBin::Clear(void) 
+{
+	// Delete all data
+
+	// Solutions
+	this->Solutions.clear();
+
+	// Exchange
+	this->Exchangers.clear();
+
+	// Gas Phases
+	this->GasPhases.clear();
+
+	// Kinetics
+	this->Kinetics.clear();
+
+	// PPassemblage
+	this->PPassemblages.clear();
+
+	// SSassemblage
+	this->SSassemblages.clear();
+
+	// Surface
+	this->Surfaces.clear();
+
+	// Mix
+	this->Mixes.clear();
+
+	// Reactions
+	this->Reactions.clear();
+
+	// Temperature
+	this->Temperatures.clear();
+
+	// Pressure
+	this->Pressures.clear();
+}
+
+cxxSystem &
+cxxStorageBin::Get_System(void)
+{
+	return this->system;
+}
+
+void
+cxxStorageBin::Set_System(cxxUse *use_ptr)
+{
+	// Initialize
+	this->system.Initialize();
+	// Solution
+	if (use_ptr->Get_solution_ptr() != NULL)
+	{
+		std::map < int, cxxSolution >::iterator it =
+			this->Solutions.find(use_ptr->Get_n_solution_user());
+		if (it != this->Solutions.end())
+		{
+			this->system.Set_Solution(&(it->second));
+		}
+	}
+	// Exchange
+	if (use_ptr->Get_exchange_ptr() != NULL)
+	{
+		std::map < int, cxxExchange >::iterator it =
+			this->Exchangers.find(use_ptr->Get_n_exchange_user());
+		if (it != this->Exchangers.end())
+		{
+			this->system.Set_Exchange(&(it->second));
+		}
+	}
+	// gas_phase
+	if (use_ptr->Get_gas_phase_ptr() != NULL)
+	{
+		std::map < int, cxxGasPhase >::iterator it =
+			this->GasPhases.find(use_ptr->Get_n_gas_phase_user());
+		if (it != this->GasPhases.end())
+		{
+			this->system.Set_GasPhase(&(it->second));
+		}
+	}
+	// kinetics
+	if (use_ptr->Get_kinetics_ptr() != NULL)
+	{
+		std::map < int, cxxKinetics >::iterator it =
+			this->Kinetics.find(use_ptr->Get_n_kinetics_user());
+		if (it != this->Kinetics.end())
+		{
+			this->system.Set_Kinetics(&(it->second));
+		}
+	}
+	// pp_assemblage
+	if (use_ptr->Get_pp_assemblage_ptr() != NULL)
+	{
+		std::map < int, cxxPPassemblage >::iterator it =
+			this->PPassemblages.find(use_ptr->Get_n_pp_assemblage_user());
+		if (it != this->PPassemblages.end())
+		{
+			this->system.Set_PPassemblage(&(it->second));
+		}
+	}
+	// ss_assemblage
+	if (use_ptr->Get_ss_assemblage_ptr() != NULL)
+	{
+		std::map < int, cxxSSassemblage >::iterator it =
+			this->SSassemblages.find(use_ptr->Get_n_ss_assemblage_user());
+		if (it != this->SSassemblages.end())
+		{
+			this->system.Set_SSassemblage(&(it->second));
+		}
+	}
+	// surface
+	if (use_ptr->Get_surface_ptr() != NULL)
+	{
+		std::map < int, cxxSurface >::iterator it =
+			this->Surfaces.find(use_ptr->Get_n_surface_user());
+		if (it != this->Surfaces.end())
+		{
+			this->system.Set_Surface(&(it->second));
+		}
+	}
+	// mix
+	if (use_ptr->Get_mix_ptr() != NULL)
+	{
+		std::map < int, cxxMix >::iterator it =
+			this->Mixes.find(use_ptr->Get_n_mix_user());
+		if (it != this->Mixes.end())
+		{
+			this->system.Set_Mix(&(it->second));
+		}
+	}
+	// reaction
+	if (use_ptr->Get_reaction_ptr() != NULL)
+	{
+		std::map < int, cxxReaction >::iterator it =
+			this->Reactions.find(use_ptr->Get_n_reaction_user());
+		if (it != this->Reactions.end())
+		{
+			this->system.Set_Reaction(&(it->second));
+		}
+	}
+	// reaction temperature
+	if (use_ptr->Get_temperature_ptr() != NULL)
+	{
+		std::map < int, cxxTemperature >::iterator it =
+			this->Temperatures.find(use_ptr->Get_n_temperature_user());
+		if (it != this->Temperatures.end())
+		{
+			this->system.Set_Temperature(&(it->second));
+		}
+	}
+	// reaction pressure
+	if (use_ptr->Get_pressure_ptr() != NULL)
+	{
+		cxxPressure * p = Utilities::Rxn_find(this->Pressures, use_ptr->Get_n_pressure_user());
+		if (p != NULL)
+		{
+			this->system.Set_Pressure(p);
+		}
+	}
+}
+void
+cxxStorageBin::Set_System(int i)
+{
+	// Initialize
+	this->system.Initialize();
+	// Solution
+	{
+		std::map < int, cxxSolution >::iterator it = this->Solutions.find(i);
+		if (it != this->Solutions.end())
+		{
+			this->system.Set_Solution(&(it->second));
+		}
+	}
+
+	// Exchange
+	{
+		std::map < int, cxxExchange >::iterator it = this->Exchangers.find(i);
+		if (it != this->Exchangers.end())
+		{
+			this->system.Set_Exchange(&(it->second));
+		}
+	}
+
+	// gas_phase
+	{
+		std::map < int, cxxGasPhase >::iterator it = this->GasPhases.find(i);
+		if (it != this->GasPhases.end())
+		{
+			this->system.Set_GasPhase(&(it->second));
+		}
+	}
+	// kinetics
+	{
+		std::map < int, cxxKinetics >::iterator it = this->Kinetics.find(i);
+		if (it != this->Kinetics.end())
+		{
+			this->system.Set_Kinetics(&(it->second));
+		}
+	}
+	// pp_assemblage
+	{
+		std::map < int, cxxPPassemblage >::iterator it = this->PPassemblages.find(i);
+		if (it != this->PPassemblages.end())
+		{
+			this->system.Set_PPassemblage(&(it->second));
+		}
+	}
+	// ss_assemblage
+	{
+		std::map < int, cxxSSassemblage >::iterator it = this->SSassemblages.find(i);
+		if (it != this->SSassemblages.end())
+		{
+			this->system.Set_SSassemblage(&(it->second));
+		}
+	}
+	// surface
+	{
+		std::map < int, cxxSurface >::iterator it = this->Surfaces.find(i);
+		if (it != this->Surfaces.end())
+		{
+			this->system.Set_Surface(&(it->second));
+		}
+	}
+	// mix
+	{
+		std::map < int, cxxMix >::iterator it =	this->Mixes.find(i);
+		if (it != this->Mixes.end())
+		{
+			this->system.Set_Mix(&(it->second));
+		}
+	}
+	// reaction
+	{
+		std::map < int, cxxReaction >::iterator it = this->Reactions.find(i);
+		if (it != this->Reactions.end())
+		{
+			this->system.Set_Reaction(&(it->second));
+		}
+	}
+	// reaction temperature
+	{
+		std::map < int, cxxTemperature >::iterator it = this->Temperatures.find(i);
+		if (it != this->Temperatures.end())
+		{
+			this->system.Set_Temperature(&(it->second));
+		}
+	}
+
+	// reaction pressure
+	{
+		this->system.Set_Pressure(Utilities::Rxn_find(this->Pressures, i));
+	}
+}