Cleaned up header files to remove unnecessary includes of .h files. Moved includes to source code where possible.

Moved some methods for .h to source files to avoid need for includes.

Debug and Release compile. 

Still need to get class version working. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3868 1feff8c3-07ed-0310-ac33-dd36852eb9cd

ExchComp.cxx

@@ -5,16 +5,23 @@
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
 #include <iostream>				// std::cout std::cerr
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
+#include <float.h>
+
 #include "Utils.h"				// define first
-#include "ExchComp.h"
+#if !defined(PHREEQC_CLASS)
-#include "Dictionary.h"
 #define EXTERNAL extern
 #include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "ExchComp.h"
+#include "Dictionary.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 #include "output.h"
-#include <cassert>				// assert
+
-#include <algorithm>			// std::sort
 
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction

ExchComp.h

@@ -1,15 +1,14 @@
 #if !defined(EXCHCOMP_H_INCLUDED)
 #define EXCHCOMP_H_INCLUDED
 
-#include "NameDouble.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NameDouble.h"
+
 class cxxExchComp
 {
 

Exchange.cxx

@@ -4,18 +4,22 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
 #include <iostream>				// std::cout std::cerr
-#include "Utils.h"				// define first
+#include <cassert>				// assert
-#include "Exchange.h"
+#include <algorithm>			// std::sort
-#include "ExchComp.h"
+
+#include "Utils.h" // define first
+#if !defined(PHREEQC_CLASS)
 #define EXTERNAL extern
 #include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "cxxMix.h"
+#include "Exchange.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 #include "output.h"
-#include <cassert>				// assert
-#include <algorithm>			// std::sort
 
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
@@ -551,10 +555,31 @@ cxxExchange::totalize()
 	this->totals.clear();
 	// component structures
 	for (std::map < std::string, cxxExchComp >::const_iterator it = exchComps.begin();
-		 it != exchComps.end(); ++it)
+		it != exchComps.end(); ++it)
 	{
 		this->totals.add_extensive((*it).second.get_totals(), 1.0);
 		this->totals.add("Charge", (*it).second.get_charge_balance());
 	}
 	return;
 }
+bool 
+cxxExchange::get_pitzer_exchange_gammas()
+{
+	return this->pitzer_exchange_gammas;
+}
+void 
+cxxExchange::set_pitzer_exchange_gammas(bool b)
+{
+	this->pitzer_exchange_gammas = b;
+}
+
+std::map < std::string, cxxExchComp > &
+cxxExchange::get_exchComps(void)
+{
+	return (this->exchComps);
+}
+const cxxNameDouble & 
+cxxExchange::get_totals() const
+{
+	return totals;
+};

Exchange.h

@@ -1,26 +1,25 @@
 #if !defined(EXCHANGE_H_INCLUDED)
 #define EXCHANGE_H_INCLUDED
 
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
-
+#include "NumKeyword.h"
 #include "ExchComp.h"
-#include "cxxMix.h"
+#include "NameDouble.h"
+class cxxMix;
 
 class cxxExchange:public cxxNumKeyword
 {
 
-  public:
+public:
 	cxxExchange();
 	cxxExchange(int n_user);
-	  cxxExchange(struct exchange *);
+	cxxExchange(struct exchange *);
-	  cxxExchange(const std::map < int, cxxExchange > &exchange_map,
+	cxxExchange(const std::map < int, cxxExchange > &exchange_map,
-				  cxxMix & mx, int n_user);
+		cxxMix & mx, int n_user);
-	 ~cxxExchange();
+	~cxxExchange();
 
 	struct exchange *cxxExchange2exchange();
 
@@ -34,25 +33,13 @@ class cxxExchange:public cxxNumKeyword
 
 	bool get_related_rate(void);
 
-	bool get_pitzer_exchange_gammas()
+	bool get_pitzer_exchange_gammas();
-	{
+	void set_pitzer_exchange_gammas(bool b);
-		return this->pitzer_exchange_gammas;
-	}
-	void set_pitzer_exchange_gammas(bool b)
-	{
-		this->pitzer_exchange_gammas = b;
-	}
 
-	std::map < std::string, cxxExchComp > &get_exchComps(void)
+	std::map < std::string, cxxExchComp > &get_exchComps(void);
-	{
-		return (this->exchComps);
-	}
 	void totalize();
 
-	const cxxNameDouble & get_totals() const
+	const cxxNameDouble & get_totals() const;
-	{
-		return totals;
-	};
 
 #ifdef USE_MPI
 	void mpi_pack(std::vector < int >&ints, std::vector < double >&doubles);

GasPhase.cxx

@@ -4,16 +4,23 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
+#include <float.h>
 
 #include "Utils.h"				// define first
-#include "GasPhase.h"
+#if !defined(PHREEQC_CLASS)
 #define EXTERNAL extern
 #include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "GasPhase.h"
+#include "cxxMix.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 #include "output.h"
-#include <cassert>				// assert
+
-#include <algorithm>			// std::sort
 
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction

GasPhase.h

@@ -1,17 +1,15 @@
 #if !defined(GASPHASE_H_INCLUDED)
 #define GASPHASE_H_INCLUDED
 
-#include "NumKeyword.h"
-#include "NameDouble.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
-#include "cxxMix.h"
+#include "NumKeyword.h"
+#include "NameDouble.h"
+class cxxMix;
 
 class cxxGasPhase:public cxxNumKeyword
 {

ISolution.cxx

@@ -4,18 +4,22 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
+#include <sstream>
 
-#include "ISolution.h"
+#include "Utils.h" // define first
-#include "ISolutionComp.h"
+#if !defined(PHREEQC_CLASS)
 #define EXTERNAL extern
 #include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "ISolution.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 #include "output.h"
 
-#include <cassert>				// assert
-#include <algorithm>			// std::sort
-#include <sstream>
 #ifdef ORCHESTRA
 extern void ORCH_write_chemistry_species(std::ostream & chemistry_dat);
 #endif

ISolution.h

@@ -1,11 +1,6 @@
 #if !defined(ISOLUTION_H_INCLUDED)
 #define ISOLUTION_H_INCLUDED
 
-//#include "Parser.h"
-#include "ISolutionComp.h"
-#include "NumKeyword.h"
-#include "Solution.h"
-//#include "Isotope.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
@@ -15,6 +10,11 @@
 #include <iostream>
 #include <sstream>
 #include <fstream>
+
+#include "ISolutionComp.h"
+#include "NumKeyword.h"
+#include "Solution.h"
+
 class cxxISolution:public cxxSolution
 {
 

ISolutionComp.cxx

@@ -1,13 +1,16 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "ISolutionComp.h"
-#include "ISolution.h"
-#include "Utils.h"
 #include <cassert>
+
+#include "Utils.h"
+#if !defined(PHREEQC_CLASS)
 #define EXTERNAL extern
 #include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "ISolutionComp.h"
 #include "phrqproto.h"
 #include "phqalloc.h"
 #include "output.h"

ISolutionComp.h

@@ -1,13 +1,6 @@
 #if !defined(ISOLUTIONCOMP_H_INCLUDED)
 #define ISOLUTIONCOMP_H_INCLUDED
 
-//#include "Parser.h"
-#include "Utils.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
-
 #include <string>
 #include <map>					// std::map
 #include <vector>

KineticsComp.cxx

@@ -4,17 +4,22 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "KineticsComp.h"
-#include "Dictionary.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "KineticsComp.h"
+#include "Dictionary.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

KineticsComp.h

@@ -1,15 +1,14 @@
 #if !defined(KINETICSCOMP_H_INCLUDED)
 #define KINETICSCOMP_H_INCLUDED
 
-#include "NameDouble.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NameDouble.h"
+
 class cxxKineticsComp
 {
 

NameDouble.cxx

@@ -4,19 +4,22 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include <iostream>				// std::cout std::cerr
-#include "Utils.h"				// define first
-#include "NameDouble.h"
-#include "Dictionary.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "output.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 #include <map>					// std::sort
+#include <iostream>				// std::cout std::cerr
+
+#include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "NameDouble.h"
+#include "Dictionary.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
 
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction

NameDouble.h

@@ -9,6 +9,7 @@
 #include <vector>				// std::vector
 
 #include "Parser.h"
+
 class cxxNameDouble:public
 	std::map < std::string, double >
 {

NumKeyword.cxx

@@ -6,6 +6,7 @@
 //////////////////////////////////////////////////////////////////////
 
 #include "NumKeyword.h"
+#include "Parser.h"
 
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction

NumKeyword.h

@@ -1,12 +1,11 @@
 #if !defined(NUMKEYWORD_H_INCLUDED)
 #define NUMKEYWORD_H_INCLUDED
 
-#include "Parser.h"
+//#include "Parser.h"
 #include <ostream>				// std::ostream
 #include <string>				// std::string
-//#define EXTERNAL extern
+class CParser;
-//#include "global.h"
+
-//#include "phrqproto.h"
 extern char *string_duplicate(const char *);
 
 class cxxNumKeyword

PPassemblage.cxx

@@ -4,17 +4,21 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "PPassemblage.h"
-#include "PPassemblageComp.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "PPassemblage.h"
+#include "cxxMix.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

PPassemblage.h

@@ -1,17 +1,15 @@
 #if !defined(PPASSEMBLAGE_H_INCLUDED)
 #define PPASSEMBLAGE_H_INCLUDED
 
-#include "NumKeyword.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NumKeyword.h"
 #include "PPassemblageComp.h"
-#include "cxxMix.h"
+class cxxMix;
 
 class cxxPPassemblage:public cxxNumKeyword
 {

PPassemblageComp.cxx

@@ -4,17 +4,22 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
 
 #include "Utils.h"				// define first
-#include "PPassemblageComp.h"
+#if !defined(PHREEQC_CLASS)
-#include "Dictionary.h"
 #define EXTERNAL extern
 #include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "PPassemblageComp.h"
+#include "Dictionary.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 #include "output.h"
-#include <cassert>				// assert
+
-#include <algorithm>			// std::sort
 
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
@@ -365,15 +370,13 @@ cxxPPassemblageComp::read_raw(CParser & parser, bool check)
 		if (initial_moles_defined == false)
 		{
 			parser.incr_input_error();
-			parser.
+			parser.error_msg("Initial_moles not defined for PPassemblageComp input.",
-				error_msg("Initial_moles not defined for PPassemblageComp input.",
 				CParser::OT_CONTINUE);
 		}
 		if (dissolve_only_defined == false)
 		{
 			parser.incr_input_error();
-			parser.
+			parser.error_msg("Dissolve_only not defined for PPassemblageComp input.",
-				error_msg("Dissolve_only not defined for PPassemblageComp input.",
 				CParser::OT_CONTINUE);
 		}
 		/* don't check to maintain backward compatibility
@@ -388,8 +391,7 @@ cxxPPassemblageComp::read_raw(CParser & parser, bool check)
 		if (force_equality_defined == false)
 		{
 			parser.incr_input_error();
-			parser.
+			parser.error_msg
-				error_msg
 				("Force_equality not defined for PPassemblageComp input.",
 				CParser::OT_CONTINUE);
 		}

PPassemblageComp.h

@@ -1,15 +1,14 @@
 #if !defined(PPASSEMBLAGECOMP_H_INCLUDED)
 #define PPASSEMBLAGECOMP_H_INCLUDED
 
-#include "NameDouble.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NameDouble.h"
+
 class cxxPPassemblageComp
 {
 

Reaction.cxx

@@ -4,16 +4,20 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "Reaction.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "Reaction.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

Reaction.h

@@ -1,16 +1,15 @@
 #if !defined(REACTION_H_INCLUDED)
 #define REACTION_H_INCLUDED
 
-#include "NumKeyword.h"
-#include "NameDouble.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NumKeyword.h"
+#include "NameDouble.h"
+
 class cxxReaction:public cxxNumKeyword
 {
 

ReadClass.cxx

@@ -1,6 +1,16 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
+#include <iostream>
+#include <fstream>
+#include <sstream>
+
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
 #include "Parser.h"
 #include "Solution.h"
 #include "Exchange.h"
@@ -14,14 +24,10 @@
 #include "Temperature.h"
 #include "dumper.h"
 #include "runner.h"
-#define EXTERNAL extern
+#include "cxxMix.h"
-#include "global.h"
 #include "phqalloc.h"
-#include "output.h"
 #include "phrqproto.h"
-#include <iostream>
+#include "output.h"
-#include <fstream>
-#include <sstream>
 
 static int streamify_to_next_keyword(std::istringstream & lines);
 extern int reading_database(void);

SSassemblage.cxx

@@ -9,17 +9,18 @@
 #include <algorithm>			// std::sort
 
 #include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
 #include "SSassemblage.h"
 #include "SSassemblageSS.h"
 #include "cxxMix.h"
-#if defined(PHREEQC_CLASS)
-#define CLASS_STATIC static
-#endif
-#include "global_structures.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 
-
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

SSassemblage.h

@@ -1,14 +1,14 @@
 #if !defined(SSASSEMBLAGE_H_INCLUDED)
 #define SSASSEMBLAGE_H_INCLUDED
 
-#include "NumKeyword.h"
+
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
-//#include "SSassemblageSS.h"
+#include "NumKeyword.h"
 #include "NameDouble.h"
 class cxxSSassemblageSS;
 

SSassemblageSS.cxx

@@ -4,18 +4,22 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "SSassemblageSS.h"
-#include "NameDouble.h"
-#include "Dictionary.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "SSassemblageSS.h"
+#include "Dictionary.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

SSassemblageSS.h

@@ -1,13 +1,14 @@
 #if !defined(SSASSEMBLAGESS_H_INCLUDED)
 #define SSASSEMBLAGESS_H_INCLUDED
 
-#include "NameDouble.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NameDouble.h"
+
 class cxxSSassemblageSS
 {
 

Solution.cxx

@@ -4,19 +4,26 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
+
 #ifdef USE_MPI
 //MPICH seems to require mpi.h to be first
 #include <mpi.h>
 #endif
 #include "Utils.h"				// define first
-#include "Solution.h"
+#if !defined(PHREEQC_CLASS)
 #define EXTERNAL extern
 #include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "Solution.h"
+#include "cxxMix.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 #include "output.h"
-#include <cassert>				// assert
+
-#include <algorithm>			// std::sort
 
 
 //////////////////////////////////////////////////////////////////////

Solution.h

@@ -1,19 +1,17 @@
 #if !defined(SOLUTION_H_INCLUDED)
 #define SOLUTION_H_INCLUDED
 
-#include "NumKeyword.h"
-#include "SolutionIsotopeList.h"
-#include "NameDouble.h"
-#include "cxxMix.h"
-
-//#define EXTERNAL extern
-//#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <vector>				// std::vector
 #include <iostream>
 
+#include "NumKeyword.h"
+#include "SolutionIsotopeList.h"
+#include "NameDouble.h"
+class cxxMix;
+
 class cxxSolution:public cxxNumKeyword
 {
 

SolutionIsotope.cxx

@@ -1,16 +1,20 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-#include "SolutionIsotope.h"
-#include "Utils.h"
-#include "Parser.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>
 #include <sstream>				// std::ostrstream
 
+#include "Utils.h"
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "SolutionIsotope.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
 cxxSolutionIsotope::cxxSolutionIsotope(void):
 isotope_number(0.0)
 {

SolutionIsotope.h

@@ -1,10 +1,10 @@
 #if !defined(SOLUTIONISOTOPE_H_INCLUDED)
 #define SOLUTIONISOTOPE_H_INCLUDED
 
-#include "Parser.h"
 #include <ostream>				// std::ostream
 #include <string>				// std::string
 #include <list>					// std::list
+#include "Parser.h"
 
 class cxxSolutionIsotope
 {

SolutionIsotopeList.cxx

@@ -1,12 +1,18 @@
 #include "Utils.h"				// define first
-#include "SolutionIsotopeList.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "SolutionIsotopeList.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
+
 cxxSolutionIsotopeList::cxxSolutionIsotopeList(void)
 	//
 	// default constructor for cxxSolution 

SolutionIsotopeList.h

@@ -1,18 +1,14 @@
 #if !defined(SOLUTIONISOTOPELIST_H_INCLUDED)
 #define SOLUTIONISOTOPELIST_H_INCLUDED
 
-//#define EXTERNAL extern
-#include "SolutionIsotope.h"
-//#include "global.h"
 #include <cassert>				// assert
 #include <string>				// std::string
 #include <list>					// std::list
 
-#include "Parser.h"
+#include "SolutionIsotope.h"
 
 class cxxSolutionIsotopeList:public
-	std::list <
+	std::list <	cxxSolutionIsotope >
-	cxxSolutionIsotope >
 {
 
 public:
@@ -29,7 +25,7 @@ public:
 protected:
 
 
-  public:
+public:
 
 
 };

StorageBin.cxx

@@ -4,14 +4,22 @@
 #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
+
 #ifdef USE_MPI
 //MPICH seems to require mpi.h to be first
 #include <mpi.h>
 #endif
-
-#include <fstream>
-#include <iostream>				// std::cout std::cerr
 #include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
 #include "NameDouble.h"
 #include "StorageBin.h"
 #include "SSassemblage.h"
@@ -26,14 +34,9 @@
 #include "cxxMix.h"
 #include "Reaction.h"
 #include "Temperature.h"
-
-#define EXTERNAL extern
-#include "global.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 #include "output.h"
-#include <cassert>				// assert
-#include <algorithm>			// std::sort
 
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction

StorageBin.h

@@ -6,9 +6,7 @@
 #include <list>					// std::list
 #include <vector>				// std::vector
 
-//#include "Utils.h"
+#include "System.h"
-//#include "Parser.h"
-
 class cxxSolution;
 class cxxExchange;
 class cxxGasPhase;
@@ -16,11 +14,9 @@ class cxxKinetics;
 class cxxPPassemblage;
 class cxxSSassemblage;
 class cxxSurface;
-#include "System.h"
 class cxxReaction;
 class cxxTemperature;
 
-
 class cxxStorageBin
 {
 

StorageBinList.cpp

@@ -1,5 +1,7 @@
-#include "StorageBinList.h"
 #include <algorithm>			// std::replace
+#include "StorageBinList.h"
+#include "Parser.h"
+
 StorageBinListItem::StorageBinListItem(void)
 {
 	this->defined = false;

StorageBinList.h

@@ -4,7 +4,9 @@
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>					// std::vector
-#include "Parser.h"
+
+class CParser;
+
 class StorageBinListItem
 {
 public:

Surface.cxx

@@ -4,17 +4,21 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "Surface.h"
-#include "SurfaceComp.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "Surface.h"
+#include "cxxMix.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

Surface.h

@@ -1,18 +1,16 @@
 #if !defined(SURFACE_H_INCLUDED)
 #define SURFACE_H_INCLUDED
 
-#include "NumKeyword.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NumKeyword.h"
 #include "SurfaceComp.h"
 #include "SurfaceCharge.h"
-#include "cxxMix.h"
+class cxxMix;
 
 class cxxSurface:public cxxNumKeyword
 {

SurfaceCharge.cxx

@@ -4,26 +4,30 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "SurfaceCharge.h"
-#include "Dictionary.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "output.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "SurfaceCharge.h"
+#include "Dictionary.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+#include "output.h"
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////
 
 cxxSurfaceCharge::cxxSurfaceCharge()
-	//
+//
-	// default constructor for cxxSurfaceCharge 
+// default constructor for cxxSurfaceCharge 
-	//
+//
 {
 	specific_area = 0.0;
 	grams = 0.0;
@@ -38,10 +42,10 @@ cxxSurfaceCharge::cxxSurfaceCharge()
 }
 
 cxxSurfaceCharge::cxxSurfaceCharge(struct surface_charge *surf_charge_ptr)
-		//
+//
-		// constructor for cxxSurfaceCharge from struct surface_charge
+// constructor for cxxSurfaceCharge from struct surface_charge
-		//
+//
-	:
+:
 diffuse_layer_totals(surf_charge_ptr->diffuse_layer_totals)
 {
 	this->set_name(surf_charge_ptr->name);
@@ -61,7 +65,7 @@ cxxSurfaceCharge::~cxxSurfaceCharge()
 }
 
 struct master *
-cxxSurfaceCharge::get_psi_master()
+	cxxSurfaceCharge::get_psi_master()
 {
 	struct master *master_ptr = NULL;
 	std::string str = this->name;
@@ -81,9 +85,9 @@ cxxSurfaceCharge::get_psi_master()
 
 struct surface_charge *
 	cxxSurfaceCharge::cxxSurfaceCharge2surface_charge(std::map < std::string, cxxSurfaceCharge > &el)
-		//
+	//
-		// Builds surface_charge structure from of cxxSurfaceCharge 
+	// Builds surface_charge structure from of cxxSurfaceCharge 
-		//
+	//
 {
 	struct surface_charge *surf_charge_ptr =
 		(struct surface_charge *)
@@ -93,7 +97,7 @@ struct surface_charge *
 
 	int i = 0;
 	for (std::map < std::string, cxxSurfaceCharge >::iterator it = el.begin();
-		 it != el.end(); ++it)
+		it != el.end(); ++it)
 	{
 		surf_charge_ptr[i].name = string_hsave((*it).second.name.c_str());
 		assert((*it).second.name.size() > 0);
@@ -265,7 +269,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->name.clear();
 				parser.incr_input_error();
 				parser.error_msg("Expected string value for name.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			else
 			{
@@ -280,7 +284,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->specific_area = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for specific_area.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			specific_area_defined = true;
 			break;
@@ -291,7 +295,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->grams = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for grams.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			grams_defined = true;
 			break;
@@ -303,7 +307,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->charge_balance = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for charge_balance.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			charge_balance_defined = true;
 			break;
@@ -314,7 +318,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->mass_water = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for mass_water.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			mass_water_defined = true;
 			break;
@@ -326,7 +330,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->la_psi = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for la_psi.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			la_psi_defined = true;
 			break;
@@ -340,7 +344,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				parser.
 					error_msg
 					("Expected element name and molality for SurfaceCharge diffuse_layer_totals.",
-					 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			opt_save = 6;
 			break;
@@ -351,7 +355,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->la_psi1 = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for la_psi1.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			la_psi1_defined = true;
 			break;
@@ -362,7 +366,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->la_psi2 = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for la_psi.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			la_psi2_defined = true;
 			break;
@@ -373,7 +377,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->capacitance[0] = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for capacitance0.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			capacitance0_defined = true;
 			break;
@@ -384,7 +388,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				this->capacitance[1] = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for capacitance1.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			capacitance1_defined = true;
 			break;

SurfaceCharge.h

@@ -1,23 +1,22 @@
 #if !defined(SURFACECHARGE_H_INCLUDED)
 #define SURFACECHARGE_H_INCLUDED
 
-#include "NameDouble.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NameDouble.h"
+
 class cxxSurfaceCharge
 {
 
-  public:
+public:
 
 	cxxSurfaceCharge();
 	cxxSurfaceCharge(struct surface_charge *);
-	 ~cxxSurfaceCharge();
+	~cxxSurfaceCharge();
 
 
 	struct master *get_psi_master();

SurfaceComp.cxx

@@ -4,26 +4,30 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
+#include <cassert>				// assert
+#include <algorithm>			// std::sort
 
 #include "Utils.h"				// define first
-#include "SurfaceComp.h"
+#if !defined(PHREEQC_CLASS)
-#include "Dictionary.h"
 #define EXTERNAL extern
 #include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "SurfaceComp.h"
+#include "Dictionary.h"
 #include "phqalloc.h"
 #include "phrqproto.h"
 #include "output.h"
-#include <cassert>				// assert
-#include <algorithm>			// std::sort
 
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////
 
 cxxSurfaceComp::cxxSurfaceComp()
-	//
+//
-	// default constructor for cxxSurfaceComp 
+// default constructor for cxxSurfaceComp 
-	//
+//
 {
 	formula_totals.type = cxxNameDouble::ND_ELT_MOLES;
 	formula_z = 0.0;
@@ -37,10 +41,10 @@ cxxSurfaceComp::cxxSurfaceComp()
 }
 
 cxxSurfaceComp::cxxSurfaceComp(struct surface_comp *surf_comp_ptr)
-		//
+//
-		// constructor for cxxSurfaceComp from struct surface_comp
+// constructor for cxxSurfaceComp from struct surface_comp
-		//
+//
-	:
+:
 formula_totals(surf_comp_ptr->formula_totals),
 totals(surf_comp_ptr->totals)
 {
@@ -61,12 +65,12 @@ cxxSurfaceComp::~cxxSurfaceComp()
 }
 
 struct master *
-cxxSurfaceComp::get_master()
+	cxxSurfaceComp::get_master()
 {
 	struct master *master_ptr = NULL;
 	//for (std::map <char *, double, CHARSTAR_LESS>::iterator it = totals.begin(); it != totals.end(); it++) {
 	for (cxxNameDouble::iterator it = this->totals.begin();
-		 it != this->totals.end(); it++)
+		it != this->totals.end(); it++)
 	{
 		/* Find master species */
 		char *eltName = string_hsave(it->first.c_str());
@@ -100,9 +104,9 @@ cxxSurfaceComp::get_master()
 
 struct surface_comp *
 	cxxSurfaceComp::cxxSurfaceComp2surface_comp(std::map < std::string, cxxSurfaceComp > &el)
-		//
+	//
-		// Builds surface_comp structure from of cxxSurfaceComp 
+	// Builds surface_comp structure from of cxxSurfaceComp 
-		//
+	//
 {
 	struct surface_comp *surf_comp_ptr =
 		(struct surface_comp *)
@@ -112,7 +116,7 @@ struct surface_comp *
 
 	int i = 0;
 	for (std::map < std::string, cxxSurfaceComp >::iterator it = el.begin();
-		 it != el.end(); ++it)
+		it != el.end(); ++it)
 	{
 		surf_comp_ptr[i].formula = string_hsave((*it).second.formula.c_str());
 		assert((*it).second.formula.size() > 0);
@@ -306,7 +310,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->formula.clear();
 				parser.incr_input_error();
 				parser.error_msg("Expected string value for formula.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			else
 			{
@@ -321,7 +325,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->moles = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for moles.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			moles_defined = true;
 			break;
@@ -332,7 +336,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->la = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for la.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			la_defined = true;
 			break;
@@ -343,7 +347,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->charge_number = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected integer value for charge_number.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			charge_number_defined = true;
 			break;
@@ -354,7 +358,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->charge_balance = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for charge_balance.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			charge_balance_defined = true;
 			break;
@@ -365,7 +369,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->phase_name.clear();
 				parser.incr_input_error();
 				parser.error_msg("Expected string value for phase_name.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			else
 			{
@@ -379,7 +383,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->rate_name.clear();
 				parser.incr_input_error();
 				parser.error_msg("Expected string value for rate_name.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			else
 			{
@@ -394,7 +398,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				parser.incr_input_error();
 				parser.
 					error_msg("Expected numeric value for phase_proportion.",
-							  CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			break;
 
@@ -406,7 +410,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				parser.
 					error_msg
 					("Expected element name and molality for SurfaceComp totals.",
-					 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			opt_save = 8;
 			break;
@@ -417,7 +421,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->formula_z = 0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for formula_z.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			formula_z_defined = true;
 			break;
@@ -430,7 +434,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				parser.
 					error_msg
 					("Expected element name and molality for SurfaceComp formula totals.",
-					 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			opt_save = 10;
 			break;
@@ -441,7 +445,7 @@ cxxSurfaceComp::read_raw(CParser & parser, bool check)
 				this->Dw = 0.0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for Dw.",
-								 CParser::OT_CONTINUE);
+					CParser::OT_CONTINUE);
 			}
 			Dw_defined = true;
 			break;
@@ -658,3 +662,77 @@ cxxSurfaceComp::multiply(double extensive)
 	//char   *rate_name;
 	//double Dw;
 }
+const std::string &
+cxxSurfaceComp::get_phase_name() const
+{
+	return this->phase_name;
+}
+void 
+cxxSurfaceComp::set_phase_name(char * f) 
+{
+	if (f != NULL)
+		this->phase_name = std::string(f);
+	else
+		this->phase_name.clear();
+}
+const std::string &
+cxxSurfaceComp::get_rate_name() const
+{
+	return this->rate_name;
+}
+void 
+cxxSurfaceComp::set_rate_name(char * f) 
+{
+	if (f != NULL)
+		this->rate_name = std::string(f);
+	else
+		this->rate_name.clear();
+}
+const std::string &
+cxxSurfaceComp::get_formula() const
+{
+	return this->formula;
+}
+void 
+cxxSurfaceComp::set_formula(char * f) 
+{
+	if (f != NULL)
+		this->formula = std::string(f);
+	else
+		this->formula.clear();
+}
+double 
+cxxSurfaceComp::get_charge_balance() const
+{
+	return this->charge_balance;
+}
+void 
+cxxSurfaceComp::set_charge_balance(double d)
+{
+	this->charge_balance = d;
+}
+const cxxNameDouble & 
+cxxSurfaceComp::get_totals() const
+{
+	return (this->totals);
+};
+std::string 
+cxxSurfaceComp::charge_name()
+{
+	char * str = string_hsave(this->formula.c_str());
+	return (get_charge_name(str));
+};
+std::string 
+cxxSurfaceComp::get_charge_name(char *token)
+{
+	char name[100];
+	int l;
+	char *ptr1 = token;
+	get_elt(&ptr1, name, &l);
+	ptr1 = strchr(name, '_');
+	if (ptr1 != NULL)
+	{
+		ptr1[0] = '\0';
+	}
+	return (std::string(name));
+};

SurfaceComp.h

@@ -1,136 +1,60 @@
 #if !defined(SURFACECOMP_H_INCLUDED)
 #define SURFACECOMP_H_INCLUDED
 
-#include "NameDouble.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NameDouble.h"
+
 class cxxSurfaceComp
 {
 
-  public:
+public:
 
 	cxxSurfaceComp();
 	cxxSurfaceComp(struct surface_comp *);
-	 ~cxxSurfaceComp();
+	~cxxSurfaceComp();
-
 
 	struct master *get_master();
-	const std::string &get_phase_name() const
+	const std::string &get_phase_name() const;
-	{
+	void set_phase_name(char * f);
-		return this->phase_name;
+	const std::string &get_rate_name() const;
-	}
+	void set_rate_name(char * f);
-	void set_phase_name(char * f) 
+	const std::string &get_formula() const;
-	{
+	void set_formula(char * f);
-		if (f != NULL)
+	double get_charge_balance() const;
-			this->phase_name = std::string(f);
+	void set_charge_balance(double d);
-		else
-			this->phase_name.clear();
-	}
-	const std::string &get_rate_name() const
-	{
-		return this->rate_name;
-	}
-	void set_rate_name(char * f) 
-	{
-		if (f != NULL)
-			this->rate_name = std::string(f);
-		else
-			this->rate_name.clear();
-	}
-	const std::string &get_formula() const
-	{
-		return this->formula;
-	}
-	void set_formula(char * f) 
-	{
-		if (f != NULL)
-			this->formula = std::string(f);
-		else
-			this->formula.clear();
-	}
-	double get_charge_balance() const
-	{
-		return this->charge_balance;
-	}
-	void set_charge_balance(double d)
-	{
-		this->charge_balance = d;
-	}
-
 	static struct surface_comp *cxxSurfaceComp2surface_comp(std::map < std::string, cxxSurfaceComp > &el);
-
 	void dump_xml(std::ostream & os, unsigned int indent = 0) const;
-
 	void dump_raw(std::ostream & s_oss, unsigned int indent) const;
-
 	void read_raw(CParser & parser, bool check = true);
-	const cxxNameDouble & get_totals() const
+	const cxxNameDouble & get_totals() const;
-	{
-		return (this->totals);
-	};
-
-
 	void add(const cxxSurfaceComp & comp, double extensive);
 	void multiply(double extensive);
-
+	std::string charge_name();
-	std::string charge_name()
+	static std::string get_charge_name(char *token);
-	{
-		char * str = string_hsave(this->formula.c_str());
-		return (get_charge_name(str));
-	};
-
-	//static std::string &get_charge_name(char *token)
-	//{
-	//	char name[100];
-	//	int l;
-	//	char *ptr1 = token;
-	//	get_elt(&ptr1, name, &l);
-	//	ptr1 = strchr(name, '_');
-	//	if (ptr1 != NULL)
-	//	{
-	//		ptr1[0] = '\0';
-	//	}
-	//	return (string_hsave(name));
-	//};
-	static std::string get_charge_name(char *token)
-	{
-		char name[100];
-		int l;
-		char *ptr1 = token;
-		get_elt(&ptr1, name, &l);
-		ptr1 = strchr(name, '_');
-		if (ptr1 != NULL)
-		{
-			ptr1[0] = '\0';
-		}
-		return (std::string(name));
-	};
 #ifdef USE_MPI
 	void mpi_pack(std::vector < int >&ints, std::vector < double >&doubles);
 	void mpi_unpack(int *ints, int *ii, double *doubles, int *dd);
 #endif
 
-  protected:
+protected:
-	  std::string formula;
+	std::string formula;
-	  cxxNameDouble formula_totals;
+	cxxNameDouble formula_totals;
-	  double formula_z;
+	double formula_z;
-	  double moles;
+	double moles;
-	  cxxNameDouble totals;
+	cxxNameDouble totals;
-	  double la;
+	double la;
-	  //int charge_number;
+	//int charge_number;
-	  double charge_balance;
+	double charge_balance;
-	  std::string phase_name;
+	std::string phase_name;
-	  double phase_proportion;
+	double phase_proportion;
-	  std::string rate_name;
+	std::string rate_name;
-	  double Dw;
+	double Dw;
-  public:
+public:
 
 };
 

System.cxx

@@ -1,5 +1,26 @@
-#include "System.h"
 #include <algorithm>			// std::replace 
+
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "System.h"
+#include "SSassemblage.h"
+#include "Solution.h"
+#include "Exchange.h"
+#include "GasPhase.h"
+#include "cxxKinetics.h"
+#include "PPassemblage.h"
+#include "SSassemblageSS.h"
+#include "SSassemblage.h"
+#include "Surface.h"
+#include "cxxMix.h"
+#include "Reaction.h"
+#include "Temperature.h"
+
+
 extern void ORCH_write_chemistry_species(std::ostream & chemistry_dat);
 cxxSystem::cxxSystem(void) 
 {

System.h

@@ -1,15 +1,27 @@
 #if !defined(SYSTEM_H_INCLUDED)
 #define SYSTEM_H_INCLUDED
-#include "Solution.h"
+//#include "Solution.h"
-#include "Exchange.h"
+//#include "Exchange.h"
-#include "GasPhase.h"
+//#include "GasPhase.h"
-#include "cxxKinetics.h"
+//#include "cxxKinetics.h"
-#include "PPassemblage.h"
+//#include "PPassemblage.h"
-#include "SSassemblage.h"
+//#include "SSassemblage.h"
-#include "Surface.h"
+//#include "Surface.h"
-#include "cxxMix.h"
+//#include "cxxMix.h"
-#include "Reaction.h"
+//#include "Reaction.h"
-#include "Temperature.h"
+//#include "Temperature.h"
+#include "NameDouble.h"
+class cxxSolution;
+class cxxExchange;
+class cxxGasPhase;
+class cxxKinetics;
+class cxxPPassemblage;
+class cxxSSassemblage;
+class cxxSurface;
+class cxxReaction;
+class cxxTemperature;
+class cxxMix;
+
 class cxxSystem 
 {
   public:cxxSystem(void);

Temperature.cxx

@@ -4,16 +4,22 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "Temperature.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#include "Parser.h"
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "Temperature.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

Temperature.h

@@ -1,15 +1,14 @@
 #if !defined(TEMPERATURE_H_INCLUDED)
 #define TEMPERATURE_H_INCLUDED
 
-#include "NumKeyword.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
+#include "NumKeyword.h"
+
 class cxxTemperature:public cxxNumKeyword
 {
 

cxxKinetics.cxx

@@ -4,17 +4,24 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "cxxKinetics.h"
-#include "KineticsComp.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+
+#include "cxxKinetics.h"
+#include "cxxMix.h"
+
+#include "phqalloc.h"
+#include "phrqproto.h"
+
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

cxxKinetics.h

@@ -1,18 +1,15 @@
 #if !defined(CXXKINETICS_H_INCLUDED)
 #define CXXKINETICS_H_INCLUDED
 
-#include "NumKeyword.h"
-#define EXTERNAL extern
-#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
-#include "char_star.h"
+#include "NumKeyword.h"
 #include "KineticsComp.h"
-#include "cxxMix.h"
+class cxxMix;
 
 class cxxKinetics:public cxxNumKeyword
 {

cxxMix.cxx

@@ -4,16 +4,22 @@
 #ifdef _DEBUG
 #pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
 #endif
-
-#include "Utils.h"				// define first
-#include "cxxMix.h"
-#define EXTERNAL extern
-#include "global.h"
-#include "phqalloc.h"
-#include "phrqproto.h"
 #include <cassert>				// assert
 #include <algorithm>			// std::sort
 
+#include "Utils.h"				// define first
+#include "Parser.h"
+#if !defined(PHREEQC_CLASS)
+#define EXTERNAL extern
+#include "global.h"
+#else
+#include "Phreeqc.h"
+#endif
+#include "cxxMix.h"
+#include "phqalloc.h"
+#include "phrqproto.h"
+
+
 //////////////////////////////////////////////////////////////////////
 // Construction/Destruction
 //////////////////////////////////////////////////////////////////////

cxxMix.h

@@ -1,16 +1,13 @@
 #if !defined(CXXMIX_H_INCLUDED)
 #define CXXMIX_H_INCLUDED
 
-#include "NumKeyword.h"
-//#define EXTERNAL extern
-//#include "global.h"
 #include <cassert>				// assert
 #include <map>					// std::map
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>				// std::vector
 
-#include "char_star.h"
+#include "NumKeyword.h"
 
 class cxxMix:public cxxNumKeyword
 {

dumper.cpp

@@ -1,6 +1,8 @@
-#include "dumper.h"
 #include <algorithm>			// std::replace
 
+#include "dumper.h"
+#include "Parser.h"
+
 dumper::dumper(void)
 {
 	this->file_name = "dump.out";

dumper.h

@@ -4,8 +4,9 @@
 #include <string>				// std::string
 #include <list>					// std::list
 #include <vector>					// std::vector
-#include "Parser.h"
 #include "StorageBinList.h"
+class CParser;
+
 class dumper 
 {
 public:

runner.cpp

@@ -1,5 +1,5 @@
 #include "runner.h"
-
+#include "Parser.h"
 runner::runner(void)
 {
 	this->time_step = 0;

runner.h

@@ -2,8 +2,10 @@
 #define RUNNER_H_INCLUDED
 #include <set>					// std::set
 #include <string>				// std::string
-#include "Parser.h"
+
 #include "StorageBinList.h"
+class CParser;
+
 class runner
 {
 public: