diff --git a/ExchComp.cxx b/ExchComp.cxx index 15c1b178..536c190f 100644 --- a/ExchComp.cxx +++ b/ExchComp.cxx @@ -5,16 +5,23 @@ #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif #include // std::cout std::cerr +#include // assert +#include // std::sort +#include + #include "Utils.h" // define first -#include "ExchComp.h" -#include "Dictionary.h" +#if !defined(PHREEQC_CLASS) #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 // assert -#include // std::sort + ////////////////////////////////////////////////////////////////////// // Construction/Destruction diff --git a/ExchComp.h b/ExchComp.h index 6f0797d8..68d21791 100644 --- a/ExchComp.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NameDouble.h" + class cxxExchComp { diff --git a/Exchange.cxx b/Exchange.cxx index 07c909e1..fd48ed16 100644 --- a/Exchange.cxx +++ b/Exchange.cxx @@ -4,18 +4,22 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif - #include // std::cout std::cerr -#include "Utils.h" // define first -#include "Exchange.h" -#include "ExchComp.h" +#include // assert +#include // std::sort + +#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 // assert -#include // 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; +}; \ No newline at end of file diff --git a/Exchange.h b/Exchange.h index e474762e..c3b0660d 100644 --- a/Exchange.h +++ b/Exchange.h @@ -1,26 +1,25 @@ #if !defined(EXCHANGE_H_INCLUDED) #define EXCHANGE_H_INCLUDED -#define EXTERNAL extern -#include "global.h" #include // assert #include // std::map #include // std::string #include // 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(const std::map < int, cxxExchange > &exchange_map, - cxxMix & mx, int n_user); - ~cxxExchange(); + cxxExchange(struct exchange *); + cxxExchange(const std::map < int, cxxExchange > &exchange_map, + cxxMix & mx, int n_user); + ~cxxExchange(); struct exchange *cxxExchange2exchange(); @@ -34,25 +33,13 @@ class cxxExchange:public cxxNumKeyword bool get_related_rate(void); - bool get_pitzer_exchange_gammas() - { - return this->pitzer_exchange_gammas; - } - void set_pitzer_exchange_gammas(bool b) - { - this->pitzer_exchange_gammas = b; - } + bool get_pitzer_exchange_gammas(); + void set_pitzer_exchange_gammas(bool b); - std::map < std::string, cxxExchComp > &get_exchComps(void) - { - return (this->exchComps); - } + std::map < std::string, cxxExchComp > &get_exchComps(void); void totalize(); - const cxxNameDouble & get_totals() const - { - return totals; - }; + const cxxNameDouble & get_totals() const; #ifdef USE_MPI void mpi_pack(std::vector < int >&ints, std::vector < double >&doubles); diff --git a/GasPhase.cxx b/GasPhase.cxx index c8df508c..5315b838 100644 --- a/GasPhase.cxx +++ b/GasPhase.cxx @@ -4,16 +4,23 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif +#include // assert +#include // std::sort +#include #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 // assert -#include // std::sort + ////////////////////////////////////////////////////////////////////// // Construction/Destruction diff --git a/GasPhase.h b/GasPhase.h index 5d3363cf..8cfe5759 100644 --- a/GasPhase.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector -#include "cxxMix.h" +#include "NumKeyword.h" +#include "NameDouble.h" +class cxxMix; class cxxGasPhase:public cxxNumKeyword { diff --git a/ISolution.cxx b/ISolution.cxx index 78355274..2b5e4745 100644 --- a/ISolution.cxx +++ b/ISolution.cxx @@ -4,18 +4,22 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif +#include // assert +#include // std::sort +#include -#include "ISolution.h" -#include "ISolutionComp.h" +#include "Utils.h" // define first +#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 // assert -#include // std::sort -#include #ifdef ORCHESTRA extern void ORCH_write_chemistry_species(std::ostream & chemistry_dat); #endif diff --git a/ISolution.h b/ISolution.h index cdb505b0..2c9db096 100644 --- a/ISolution.h +++ b/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 // assert #include // std::map #include // std::string @@ -15,6 +10,11 @@ #include #include #include + +#include "ISolutionComp.h" +#include "NumKeyword.h" +#include "Solution.h" + class cxxISolution:public cxxSolution { diff --git a/ISolutionComp.cxx b/ISolutionComp.cxx index fd0c6020..52fbf1c0 100644 --- a/ISolutionComp.cxx +++ b/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 + +#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" diff --git a/ISolutionComp.h b/ISolutionComp.h index 28d24c21..2e045b7d 100644 --- a/ISolutionComp.h +++ b/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 #include // std::map #include diff --git a/KineticsComp.cxx b/KineticsComp.cxx index 5c6dcef5..959ab182 100644 --- a/KineticsComp.cxx +++ b/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 // assert #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/KineticsComp.h b/KineticsComp.h index 17d96930..d66bccdb 100644 --- a/KineticsComp.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NameDouble.h" + class cxxKineticsComp { diff --git a/NameDouble.cxx b/NameDouble.cxx index cd729ea6..428db5d5 100644 --- a/NameDouble.cxx +++ b/NameDouble.cxx @@ -4,19 +4,22 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif - -#include // 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 // assert #include // std::sort #include // std::sort +#include // 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 diff --git a/NameDouble.h b/NameDouble.h index 883f6756..68ef7b69 100644 --- a/NameDouble.h +++ b/NameDouble.h @@ -9,6 +9,7 @@ #include // std::vector #include "Parser.h" + class cxxNameDouble:public std::map < std::string, double > { diff --git a/NumKeyword.cxx b/NumKeyword.cxx index 34926f66..dedee506 100644 --- a/NumKeyword.cxx +++ b/NumKeyword.cxx @@ -6,6 +6,7 @@ ////////////////////////////////////////////////////////////////////// #include "NumKeyword.h" +#include "Parser.h" ////////////////////////////////////////////////////////////////////// // Construction/Destruction diff --git a/NumKeyword.h b/NumKeyword.h index 9c31fb69..4fa31211 100644 --- a/NumKeyword.h +++ b/NumKeyword.h @@ -1,12 +1,11 @@ #if !defined(NUMKEYWORD_H_INCLUDED) #define NUMKEYWORD_H_INCLUDED -#include "Parser.h" +//#include "Parser.h" #include // std::ostream #include // std::string -//#define EXTERNAL extern -//#include "global.h" -//#include "phrqproto.h" +class CParser; + extern char *string_duplicate(const char *); class cxxNumKeyword diff --git a/PPassemblage.cxx b/PPassemblage.cxx index aa35f313..a4c9f8d7 100644 --- a/PPassemblage.cxx +++ b/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 // assert #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/PPassemblage.h b/PPassemblage.h index af9cdc75..50a93c0b 100644 --- a/PPassemblage.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NumKeyword.h" #include "PPassemblageComp.h" -#include "cxxMix.h" +class cxxMix; class cxxPPassemblage:public cxxNumKeyword { diff --git a/PPassemblageComp.cxx b/PPassemblageComp.cxx index 4801c633..9af0b3e9 100644 --- a/PPassemblageComp.cxx +++ b/PPassemblageComp.cxx @@ -4,17 +4,22 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif +#include // assert +#include // std::sort #include "Utils.h" // define first -#include "PPassemblageComp.h" -#include "Dictionary.h" +#if !defined(PHREEQC_CLASS) #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 // assert -#include // 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. - error_msg("Initial_moles not defined for PPassemblageComp input.", + parser.error_msg("Initial_moles not defined for PPassemblageComp input.", CParser::OT_CONTINUE); } if (dissolve_only_defined == false) { parser.incr_input_error(); - parser. - error_msg("Dissolve_only not defined for PPassemblageComp input.", + parser.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. - error_msg + parser.error_msg ("Force_equality not defined for PPassemblageComp input.", CParser::OT_CONTINUE); } diff --git a/PPassemblageComp.h b/PPassemblageComp.h index e88a35c7..a220d31e 100644 --- a/PPassemblageComp.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NameDouble.h" + class cxxPPassemblageComp { diff --git a/Reaction.cxx b/Reaction.cxx index b40b194f..9dd9fb0b 100644 --- a/Reaction.cxx +++ b/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 // assert #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/Reaction.h b/Reaction.h index ae6d8dd2..e3c24594 100644 --- a/Reaction.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NumKeyword.h" +#include "NameDouble.h" + class cxxReaction:public cxxNumKeyword { diff --git a/ReadClass.cxx b/ReadClass.cxx index 48805ea0..398436bd 100644 --- a/ReadClass.cxx +++ b/ReadClass.cxx @@ -1,6 +1,16 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif +#include +#include +#include + +#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 "global.h" +#include "cxxMix.h" #include "phqalloc.h" -#include "output.h" #include "phrqproto.h" -#include -#include -#include +#include "output.h" static int streamify_to_next_keyword(std::istringstream & lines); extern int reading_database(void); diff --git a/SSassemblage.cxx b/SSassemblage.cxx index de9b9b87..95909e95 100644 --- a/SSassemblage.cxx +++ b/SSassemblage.cxx @@ -9,17 +9,18 @@ #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/SSassemblage.h b/SSassemblage.h index 40cbb185..b81b8475 100644 --- a/SSassemblage.h +++ b/SSassemblage.h @@ -1,14 +1,14 @@ #if !defined(SSASSEMBLAGE_H_INCLUDED) #define SSASSEMBLAGE_H_INCLUDED -#include "NumKeyword.h" + #include // assert #include // std::map #include // std::string #include // std::list #include // std::vector -//#include "SSassemblageSS.h" +#include "NumKeyword.h" #include "NameDouble.h" class cxxSSassemblageSS; diff --git a/SSassemblageSS.cxx b/SSassemblageSS.cxx index 47e3ce37..b1e96f29 100644 --- a/SSassemblageSS.cxx +++ b/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 // assert #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/SSassemblageSS.h b/SSassemblageSS.h index 8c601e52..af148c50 100644 --- a/SSassemblageSS.h +++ b/SSassemblageSS.h @@ -1,13 +1,14 @@ #if !defined(SSASSEMBLAGESS_H_INCLUDED) #define SSASSEMBLAGESS_H_INCLUDED -#include "NameDouble.h" #include // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NameDouble.h" + class cxxSSassemblageSS { diff --git a/Solution.cxx b/Solution.cxx index 193591df..3b0f5a98 100644 --- a/Solution.cxx +++ b/Solution.cxx @@ -4,19 +4,26 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif +#include // assert +#include // std::sort + #ifdef USE_MPI //MPICH seems to require mpi.h to be first #include #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 // assert -#include // std::sort + ////////////////////////////////////////////////////////////////////// diff --git a/Solution.h b/Solution.h index 96a03533..90b9bcae 100644 --- a/Solution.h +++ b/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 // assert #include // std::map #include // std::string #include // std::vector #include +#include "NumKeyword.h" +#include "SolutionIsotopeList.h" +#include "NameDouble.h" +class cxxMix; + class cxxSolution:public cxxNumKeyword { diff --git a/SolutionIsotope.cxx b/SolutionIsotope.cxx index baff944c..510e1563 100644 --- a/SolutionIsotope.cxx +++ b/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 #include // 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) { diff --git a/SolutionIsotope.h b/SolutionIsotope.h index 32fc066f..e3589470 100644 --- a/SolutionIsotope.h +++ b/SolutionIsotope.h @@ -1,10 +1,10 @@ #if !defined(SOLUTIONISOTOPE_H_INCLUDED) #define SOLUTIONISOTOPE_H_INCLUDED -#include "Parser.h" #include // std::ostream #include // std::string #include // std::list +#include "Parser.h" class cxxSolutionIsotope { diff --git a/SolutionIsotopeList.cxx b/SolutionIsotopeList.cxx index 2989d788..b1910b63 100644 --- a/SolutionIsotopeList.cxx +++ b/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 // assert #include // 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 diff --git a/SolutionIsotopeList.h b/SolutionIsotopeList.h index efc9f192..e2862ec2 100644 --- a/SolutionIsotopeList.h +++ b/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 // assert #include // std::string #include // std::list -#include "Parser.h" +#include "SolutionIsotope.h" class cxxSolutionIsotopeList:public - std::list < - cxxSolutionIsotope > + std::list < cxxSolutionIsotope > { public: @@ -29,7 +25,7 @@ public: protected: - public: +public: }; diff --git a/StorageBin.cxx b/StorageBin.cxx index cb965b6d..6a210f30 100644 --- a/StorageBin.cxx +++ b/StorageBin.cxx @@ -4,14 +4,22 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif +#include +#include // std::cout std::cerr +#include // assert +#include // std::sort + #ifdef USE_MPI //MPICH seems to require mpi.h to be first #include #endif - -#include -#include // 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 // assert -#include // std::sort ////////////////////////////////////////////////////////////////////// // Construction/Destruction diff --git a/StorageBin.h b/StorageBin.h index 44ff84fd..ba0750c5 100644 --- a/StorageBin.h +++ b/StorageBin.h @@ -6,9 +6,7 @@ #include // std::list #include // std::vector -//#include "Utils.h" -//#include "Parser.h" - +#include "System.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 { diff --git a/StorageBinList.cpp b/StorageBinList.cpp index 201528d0..cbbdf385 100644 --- a/StorageBinList.cpp +++ b/StorageBinList.cpp @@ -1,5 +1,7 @@ -#include "StorageBinList.h" #include // std::replace +#include "StorageBinList.h" +#include "Parser.h" + StorageBinListItem::StorageBinListItem(void) { this->defined = false; diff --git a/StorageBinList.h b/StorageBinList.h index 10094d0a..4656f817 100644 --- a/StorageBinList.h +++ b/StorageBinList.h @@ -4,7 +4,9 @@ #include // std::string #include // std::list #include // std::vector -#include "Parser.h" + +class CParser; + class StorageBinListItem { public: diff --git a/Surface.cxx b/Surface.cxx index a48bd0c7..129e4570 100644 --- a/Surface.cxx +++ b/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 // assert #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/Surface.h b/Surface.h index 461f7520..86828a74 100644 --- a/Surface.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NumKeyword.h" #include "SurfaceComp.h" #include "SurfaceCharge.h" -#include "cxxMix.h" +class cxxMix; class cxxSurface:public cxxNumKeyword { diff --git a/SurfaceCharge.cxx b/SurfaceCharge.cxx index 8e22a6b4..f6ffa348 100644 --- a/SurfaceCharge.cxx +++ b/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 // assert #include // 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; diff --git a/SurfaceCharge.h b/SurfaceCharge.h index a5841a3f..bb24db33 100644 --- a/SurfaceCharge.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NameDouble.h" + class cxxSurfaceCharge { - public: +public: cxxSurfaceCharge(); cxxSurfaceCharge(struct surface_charge *); - ~cxxSurfaceCharge(); + ~cxxSurfaceCharge(); struct master *get_psi_master(); diff --git a/SurfaceComp.cxx b/SurfaceComp.cxx index bab9bb65..5e7fc69d 100644 --- a/SurfaceComp.cxx +++ b/SurfaceComp.cxx @@ -4,26 +4,30 @@ #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif +#include // assert +#include // std::sort #include "Utils.h" // define first -#include "SurfaceComp.h" -#include "Dictionary.h" +#if !defined(PHREEQC_CLASS) #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 // assert -#include // 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 ::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)); +}; \ No newline at end of file diff --git a/SurfaceComp.h b/SurfaceComp.h index c1c43eb8..f0e28241 100644 --- a/SurfaceComp.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // 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 - { - return this->phase_name; - } - void set_phase_name(char * f) - { - if (f != NULL) - this->phase_name = std::string(f); - 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; - } - + const std::string &get_phase_name() const; + void set_phase_name(char * f); + const std::string &get_rate_name() const; + void set_rate_name(char * f); + const std::string &get_formula() const; + void set_formula(char * f); + double get_charge_balance() const; + void set_charge_balance(double 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 - { - return (this->totals); - }; - - + const cxxNameDouble & get_totals() const; void add(const cxxSurfaceComp & comp, double extensive); void multiply(double extensive); - - std::string charge_name() - { - 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)); - }; + std::string charge_name(); + static std::string get_charge_name(char *token); #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: - std::string formula; - cxxNameDouble formula_totals; - double formula_z; - double moles; - cxxNameDouble totals; - double la; - //int charge_number; - double charge_balance; - std::string phase_name; - double phase_proportion; - std::string rate_name; - double Dw; - public: +protected: + std::string formula; + cxxNameDouble formula_totals; + double formula_z; + double moles; + cxxNameDouble totals; + double la; + //int charge_number; + double charge_balance; + std::string phase_name; + double phase_proportion; + std::string rate_name; + double Dw; +public: }; diff --git a/System.cxx b/System.cxx index b22ef153..f9f46ce0 100644 --- a/System.cxx +++ b/System.cxx @@ -1,5 +1,26 @@ -#include "System.h" #include // 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) { diff --git a/System.h b/System.h index c27c4eb5..a5c0cca3 100644 --- a/System.h +++ b/System.h @@ -1,15 +1,27 @@ #if !defined(SYSTEM_H_INCLUDED) #define SYSTEM_H_INCLUDED -#include "Solution.h" -#include "Exchange.h" -#include "GasPhase.h" -#include "cxxKinetics.h" -#include "PPassemblage.h" -#include "SSassemblage.h" -#include "Surface.h" -#include "cxxMix.h" -#include "Reaction.h" -#include "Temperature.h" +//#include "Solution.h" +//#include "Exchange.h" +//#include "GasPhase.h" +//#include "cxxKinetics.h" +//#include "PPassemblage.h" +//#include "SSassemblage.h" +//#include "Surface.h" +//#include "cxxMix.h" +//#include "Reaction.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); diff --git a/Temperature.cxx b/Temperature.cxx index 2ceeb196..86dce37b 100644 --- a/Temperature.cxx +++ b/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 // assert #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/Temperature.h b/Temperature.h index ef7cf2a5..a34818f6 100644 --- a/Temperature.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector +#include "NumKeyword.h" + class cxxTemperature:public cxxNumKeyword { diff --git a/cxxKinetics.cxx b/cxxKinetics.cxx index f2709a33..f140fd77 100644 --- a/cxxKinetics.cxx +++ b/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 // assert #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/cxxKinetics.h b/cxxKinetics.h index a38a4311..bef2abab 100644 --- a/cxxKinetics.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector -#include "char_star.h" +#include "NumKeyword.h" #include "KineticsComp.h" -#include "cxxMix.h" +class cxxMix; class cxxKinetics:public cxxNumKeyword { diff --git a/cxxMix.cxx b/cxxMix.cxx index 8f7145be..79c9895c 100644 --- a/cxxMix.cxx +++ b/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 // assert #include // 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 ////////////////////////////////////////////////////////////////////// diff --git a/cxxMix.h b/cxxMix.h index 05fb92e6..3117af5b 100644 --- a/cxxMix.h +++ b/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 // assert #include // std::map #include // std::string #include // std::list #include // std::vector -#include "char_star.h" +#include "NumKeyword.h" class cxxMix:public cxxNumKeyword { diff --git a/dumper.cpp b/dumper.cpp index 2341296f..bea4ebb4 100644 --- a/dumper.cpp +++ b/dumper.cpp @@ -1,6 +1,8 @@ -#include "dumper.h" #include // std::replace +#include "dumper.h" +#include "Parser.h" + dumper::dumper(void) { this->file_name = "dump.out"; diff --git a/dumper.h b/dumper.h index f951aa96..d5ee1c0f 100644 --- a/dumper.h +++ b/dumper.h @@ -4,8 +4,9 @@ #include // std::string #include // std::list #include // std::vector -#include "Parser.h" #include "StorageBinList.h" +class CParser; + class dumper { public: diff --git a/runner.cpp b/runner.cpp index 092cb8f3..1a8952bf 100644 --- a/runner.cpp +++ b/runner.cpp @@ -1,5 +1,5 @@ #include "runner.h" - +#include "Parser.h" runner::runner(void) { this->time_step = 0; diff --git a/runner.h b/runner.h index fb407ebd..11073164 100644 --- a/runner.h +++ b/runner.h @@ -2,8 +2,10 @@ #define RUNNER_H_INCLUDED #include // std::set #include // std::string -#include "Parser.h" + #include "StorageBinList.h" +class CParser; + class runner { public: