mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-15 16:18:22 +01:00
Moved Isotope to SolutionIsotope
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
39494b0287
commit
c42d985558
68
Makefile
68
Makefile
@ -143,7 +143,7 @@ COMMON_CXXOBJS = \
|
||||
ExchComp.o \
|
||||
GasPhase.o \
|
||||
ISolution.o \
|
||||
Isotope.o \
|
||||
SolutionIsotope.o \
|
||||
KineticsComp.o \
|
||||
KineticsCxx.o \
|
||||
Mix.o \
|
||||
@ -193,18 +193,16 @@ GasPhase.o: ../GasPhase.cxx ../Utils.h ../GasPhase.h ../NumKeyword.h \
|
||||
../phreeqc/phqalloc.h ../phreeqc/phrqproto.h
|
||||
ISolutionComp.o: ../ISolutionComp.cxx ../ISolutionComp.h ../Utils.h \
|
||||
../char_star.h ../ISolution.h ../ISolutionComp.h ../NumKeyword.h \
|
||||
../Parser.h ../char_star.h ../Solution.h ../NumKeyword.h ../Isotope.h \
|
||||
../Parser.h ../NameDouble.h ../phreeqc/global.h ../phreeqc/phrqtype.h \
|
||||
../char_star.h ../Parser.h ../char_star.h ../Utils.h \
|
||||
../phreeqc/phrqproto.h ../phreeqc/phqalloc.h
|
||||
../Parser.h ../char_star.h ../Solution.h ../NumKeyword.h \
|
||||
../SolutionIsotope.h ../Parser.h ../NameDouble.h ../phreeqc/global.h \
|
||||
../phreeqc/phrqtype.h ../char_star.h ../Parser.h ../char_star.h \
|
||||
../Utils.h ../phreeqc/phrqproto.h ../phreeqc/phqalloc.h
|
||||
ISolution.o: ../ISolution.cxx ../ISolution.h ../ISolutionComp.h \
|
||||
../Utils.h ../char_star.h ../NumKeyword.h ../Parser.h ../char_star.h \
|
||||
../Solution.h ../NumKeyword.h ../Isotope.h ../Parser.h ../NameDouble.h \
|
||||
../phreeqc/global.h ../phreeqc/phrqtype.h ../char_star.h ../Parser.h \
|
||||
../char_star.h ../phreeqc/phqalloc.h ../phreeqc/phrqproto.h
|
||||
Isotope.o: ../Isotope.cxx ../Isotope.h ../Parser.h ../char_star.h \
|
||||
../Utils.h ../Parser.h ../phreeqc/global.h ../phreeqc/phrqtype.h \
|
||||
../phreeqc/phqalloc.h ../phreeqc/phrqproto.h
|
||||
../Solution.h ../NumKeyword.h ../SolutionIsotope.h ../Parser.h \
|
||||
../NameDouble.h ../phreeqc/global.h ../phreeqc/phrqtype.h \
|
||||
../char_star.h ../Parser.h ../char_star.h ../phreeqc/phqalloc.h \
|
||||
../phreeqc/phrqproto.h
|
||||
KineticsComp.o: ../KineticsComp.cxx ../Utils.h ../KineticsComp.h \
|
||||
../NameDouble.h ../phreeqc/global.h ../phreeqc/phrqtype.h \
|
||||
../char_star.h ../Parser.h ../char_star.h ../char_star.h \
|
||||
@ -238,27 +236,9 @@ Reaction.o: ../Reaction.cxx ../Utils.h ../Reaction.h ../NumKeyword.h \
|
||||
../phreeqc/phrqtype.h ../char_star.h ../Parser.h ../char_star.h \
|
||||
../phreeqc/phqalloc.h ../phreeqc/phrqproto.h
|
||||
ReadClass.o: ../ReadClass.cxx ../Parser.h ../char_star.h ../Solution.h \
|
||||
../NumKeyword.h ../Parser.h ../Isotope.h ../Parser.h ../NameDouble.h \
|
||||
../phreeqc/global.h ../phreeqc/phrqtype.h ../char_star.h ../Parser.h \
|
||||
../char_star.h ../Exchange.h ../NumKeyword.h ../char_star.h \
|
||||
../ExchComp.h ../NameDouble.h ../char_star.h ../Surface.h \
|
||||
../NumKeyword.h ../char_star.h ../SurfComp.h ../NameDouble.h \
|
||||
../char_star.h ../SurfCharge.h ../NameDouble.h ../char_star.h \
|
||||
../PPassemblage.h ../NumKeyword.h ../char_star.h ../PPassemblageComp.h \
|
||||
../NameDouble.h ../char_star.h ../KineticsCxx.h ../NumKeyword.h \
|
||||
../char_star.h ../KineticsComp.h ../NameDouble.h ../char_star.h \
|
||||
../SSassemblage.h ../NumKeyword.h ../char_star.h ../SSassemblageSS.h \
|
||||
../NameDouble.h ../char_star.h ../GasPhase.h ../NumKeyword.h \
|
||||
../NameDouble.h ../char_star.h ../Reaction.h ../NumKeyword.h \
|
||||
../NameDouble.h ../char_star.h ../Mix.h ../NumKeyword.h ../char_star.h \
|
||||
../Temperature.h ../NumKeyword.h ../char_star.h ../phreeqc/phqalloc.h \
|
||||
../phreeqc/output.h ../phreeqc/phrqproto.h
|
||||
Solution.o: ../Solution.cxx ../Utils.h ../Solution.h ../NumKeyword.h \
|
||||
../Parser.h ../char_star.h ../Isotope.h ../Parser.h ../NameDouble.h \
|
||||
../phreeqc/global.h ../phreeqc/phrqtype.h ../char_star.h ../Parser.h \
|
||||
../char_star.h ../phreeqc/phqalloc.h ../phreeqc/phrqproto.h \
|
||||
../ISolution.h ../ISolutionComp.h ../Utils.h ../char_star.h \
|
||||
../NumKeyword.h ../Solution.h ../Exchange.h ../NumKeyword.h \
|
||||
../NumKeyword.h ../Parser.h ../SolutionIsotope.h ../Parser.h \
|
||||
../NameDouble.h ../phreeqc/global.h ../phreeqc/phrqtype.h \
|
||||
../char_star.h ../Parser.h ../char_star.h ../Exchange.h ../NumKeyword.h \
|
||||
../char_star.h ../ExchComp.h ../NameDouble.h ../char_star.h \
|
||||
../Surface.h ../NumKeyword.h ../char_star.h ../SurfComp.h \
|
||||
../NameDouble.h ../char_star.h ../SurfCharge.h ../NameDouble.h \
|
||||
@ -269,7 +249,29 @@ Solution.o: ../Solution.cxx ../Utils.h ../Solution.h ../NumKeyword.h \
|
||||
../SSassemblageSS.h ../NameDouble.h ../char_star.h ../GasPhase.h \
|
||||
../NumKeyword.h ../NameDouble.h ../char_star.h ../Reaction.h \
|
||||
../NumKeyword.h ../NameDouble.h ../char_star.h ../Mix.h ../NumKeyword.h \
|
||||
../char_star.h ../Temperature.h ../NumKeyword.h ../char_star.h
|
||||
../char_star.h ../Temperature.h ../NumKeyword.h ../char_star.h \
|
||||
../phreeqc/phqalloc.h ../phreeqc/output.h ../phreeqc/phrqproto.h
|
||||
Solution.o: ../Solution.cxx ../Utils.h ../Solution.h ../NumKeyword.h \
|
||||
../Parser.h ../char_star.h ../SolutionIsotope.h ../Parser.h \
|
||||
../NameDouble.h ../phreeqc/global.h ../phreeqc/phrqtype.h \
|
||||
../char_star.h ../Parser.h ../char_star.h ../phreeqc/phqalloc.h \
|
||||
../phreeqc/phrqproto.h ../ISolution.h ../ISolutionComp.h ../Utils.h \
|
||||
../char_star.h ../NumKeyword.h ../Solution.h ../Exchange.h \
|
||||
../NumKeyword.h ../char_star.h ../ExchComp.h ../NameDouble.h \
|
||||
../char_star.h ../Surface.h ../NumKeyword.h ../char_star.h \
|
||||
../SurfComp.h ../NameDouble.h ../char_star.h ../SurfCharge.h \
|
||||
../NameDouble.h ../char_star.h ../PPassemblage.h ../NumKeyword.h \
|
||||
../char_star.h ../PPassemblageComp.h ../NameDouble.h ../char_star.h \
|
||||
../KineticsCxx.h ../NumKeyword.h ../char_star.h ../KineticsComp.h \
|
||||
../NameDouble.h ../char_star.h ../SSassemblage.h ../NumKeyword.h \
|
||||
../char_star.h ../SSassemblageSS.h ../NameDouble.h ../char_star.h \
|
||||
../GasPhase.h ../NumKeyword.h ../NameDouble.h ../char_star.h \
|
||||
../Reaction.h ../NumKeyword.h ../NameDouble.h ../char_star.h ../Mix.h \
|
||||
../NumKeyword.h ../char_star.h ../Temperature.h ../NumKeyword.h \
|
||||
../char_star.h
|
||||
SolutionIsotope.o: ../SolutionIsotope.cxx ../SolutionIsotope.h \
|
||||
../Parser.h ../char_star.h ../Utils.h ../Parser.h ../phreeqc/global.h \
|
||||
../phreeqc/phrqtype.h ../phreeqc/phqalloc.h ../phreeqc/phrqproto.h
|
||||
SSassemblage.o: ../SSassemblage.cxx ../Utils.h ../SSassemblage.h \
|
||||
../NumKeyword.h ../Parser.h ../char_star.h ../phreeqc/global.h \
|
||||
../phreeqc/phrqtype.h ../char_star.h ../SSassemblageSS.h \
|
||||
|
||||
10
Solution.cxx
10
Solution.cxx
@ -69,7 +69,7 @@ species_gamma(solution_ptr->species_gamma, solution_ptr->count_species_gamma, cx
|
||||
|
||||
// Isotopes
|
||||
for (i = 0; i < solution_ptr->count_isotopes; i++) {
|
||||
cxxIsotope iso(&solution_ptr->isotopes[i]);
|
||||
cxxSolutionIsotope iso(&solution_ptr->isotopes[i]);
|
||||
isotopes.push_back(iso);
|
||||
}
|
||||
|
||||
@ -123,7 +123,7 @@ struct solution *cxxSolution::cxxSolution2solution()
|
||||
|
||||
// isotopes
|
||||
solution_ptr->isotopes = (struct isotope *) free_check_null(solution_ptr->isotopes);
|
||||
solution_ptr->isotopes = cxxIsotope::list2isotope(this->isotopes);
|
||||
solution_ptr->isotopes = cxxSolutionIsotope::list2isotope(this->isotopes);
|
||||
solution_ptr->count_isotopes = this->isotopes.size();
|
||||
|
||||
return(solution_ptr);
|
||||
@ -223,7 +223,7 @@ void cxxSolution::dump_xml(std::ostream& s_oss, unsigned int indent)const
|
||||
}
|
||||
*/
|
||||
|
||||
for (std::list<cxxIsotope>::const_iterator it = this->isotopes.begin(); it != isotopes.end(); ++it) {
|
||||
for (std::list<cxxSolutionIsotope>::const_iterator it = this->isotopes.begin(); it != isotopes.end(); ++it) {
|
||||
it->dump_xml(s_oss, indent + 1);
|
||||
}
|
||||
|
||||
@ -326,7 +326,7 @@ void cxxSolution::dump_raw(std::ostream& s_oss, unsigned int indent)const
|
||||
s_oss << indent1;
|
||||
s_oss << "-Isotopes" << std::endl;
|
||||
{
|
||||
for (std::list<cxxIsotope>::const_iterator it = this->isotopes.begin(); it != isotopes.end(); ++it) {
|
||||
for (std::list<cxxSolutionIsotope>::const_iterator it = this->isotopes.begin(); it != isotopes.end(); ++it) {
|
||||
it->dump_raw(s_oss, indent + 2);
|
||||
}
|
||||
}
|
||||
@ -429,7 +429,7 @@ void cxxSolution::read_raw(CParser& parser)
|
||||
|
||||
case 3: // isotopes
|
||||
{
|
||||
cxxIsotope iso;
|
||||
cxxSolutionIsotope iso;
|
||||
if ( iso.read_raw(parser) != CParser::PARSER_OK) {
|
||||
parser.incr_input_error();
|
||||
parser.error_msg("Expected data for isotopes.", CParser::OT_CONTINUE);
|
||||
|
||||
@ -2,7 +2,7 @@
|
||||
#define SOLUTION_H_INCLUDED
|
||||
|
||||
#include "NumKeyword.h"
|
||||
#include "Isotope.h"
|
||||
#include "SolutionIsotope.h"
|
||||
#include "NameDouble.h"
|
||||
#define EXTERNAL extern
|
||||
#include "global.h"
|
||||
@ -76,7 +76,7 @@ protected:
|
||||
double mass_water;
|
||||
double total_alkalinity;
|
||||
cxxNameDouble totals;
|
||||
std::list<cxxIsotope> isotopes;
|
||||
std::list<cxxSolutionIsotope> isotopes;
|
||||
cxxNameDouble master_activity;
|
||||
cxxNameDouble species_gamma;
|
||||
public:
|
||||
|
||||
@ -1,7 +1,7 @@
|
||||
#ifdef _DEBUG
|
||||
#pragma warning(disable : 4786) // disable truncation warning (Only used by debugger)
|
||||
#endif
|
||||
#include "Isotope.h"
|
||||
#include "SolutionIsotope.h"
|
||||
#include "Utils.h"
|
||||
#include "Parser.h"
|
||||
#define EXTERNAL extern
|
||||
@ -11,12 +11,12 @@
|
||||
#include <cassert>
|
||||
#include <sstream> // std::ostrstream
|
||||
|
||||
cxxIsotope::cxxIsotope(void)
|
||||
cxxSolutionIsotope::cxxSolutionIsotope(void)
|
||||
: isotope_number(0.0)
|
||||
{
|
||||
}
|
||||
|
||||
cxxIsotope::cxxIsotope(struct isotope *isotope_ptr)
|
||||
cxxSolutionIsotope::cxxSolutionIsotope(struct isotope *isotope_ptr)
|
||||
{
|
||||
isotope_number = isotope_ptr->isotope_number;
|
||||
elt_name = isotope_ptr->elt_name;
|
||||
@ -26,12 +26,12 @@ cxxIsotope::cxxIsotope(struct isotope *isotope_ptr)
|
||||
ratio_uncertainty = isotope_ptr->ratio_uncertainty;
|
||||
}
|
||||
|
||||
cxxIsotope::~cxxIsotope(void)
|
||||
cxxSolutionIsotope::~cxxSolutionIsotope(void)
|
||||
{
|
||||
}
|
||||
|
||||
struct isotope *cxxIsotope::list2isotope(std::list <cxxIsotope> &isolist)
|
||||
// takes a std::list of cxxIsotope structures
|
||||
struct isotope *cxxSolutionIsotope::list2isotope(std::list <cxxSolutionIsotope> &isolist)
|
||||
// takes a std::list of cxxSolutionIsotope structures
|
||||
// returns array of isotope structures
|
||||
{
|
||||
struct isotope *iso;
|
||||
@ -41,7 +41,7 @@ struct isotope *cxxIsotope::list2isotope(std::list <cxxIsotope> &isolist)
|
||||
iso = (struct isotope *) PHRQ_malloc((size_t) ((isolist.size()) * sizeof(struct isotope)));
|
||||
if (iso == NULL) malloc_error();
|
||||
int i = 0;
|
||||
for (std::list <cxxIsotope>::iterator it = isolist.begin(); it != isolist.end(); ++it) {
|
||||
for (std::list <cxxSolutionIsotope>::iterator it = isolist.begin(); it != isolist.end(); ++it) {
|
||||
iso[i].isotope_number = it->isotope_number;
|
||||
iso[i].elt_name = it->elt_name;
|
||||
iso[i].total = it->total;
|
||||
@ -56,7 +56,7 @@ struct isotope *cxxIsotope::list2isotope(std::list <cxxIsotope> &isolist)
|
||||
}
|
||||
|
||||
#ifdef SKIP
|
||||
std::string cxxIsotope::get_name()const
|
||||
std::string cxxSolutionIsotope::get_name()const
|
||||
{
|
||||
std::ostringstream oss;
|
||||
//std::ostrstream oss;
|
||||
@ -65,7 +65,7 @@ std::string cxxIsotope::get_name()const
|
||||
}
|
||||
#endif
|
||||
|
||||
void cxxIsotope::dump_xml(std::ostream& s_oss, unsigned int indent)const
|
||||
void cxxSolutionIsotope::dump_xml(std::ostream& s_oss, unsigned int indent)const
|
||||
{
|
||||
unsigned int i;
|
||||
|
||||
@ -99,7 +99,7 @@ void cxxIsotope::dump_xml(std::ostream& s_oss, unsigned int indent)const
|
||||
s_oss << "\">" << std::endl;
|
||||
}
|
||||
|
||||
void cxxIsotope::dump_raw(std::ostream& s_oss, unsigned int indent)const
|
||||
void cxxSolutionIsotope::dump_raw(std::ostream& s_oss, unsigned int indent)const
|
||||
{
|
||||
unsigned int i;
|
||||
|
||||
@ -118,7 +118,7 @@ void cxxIsotope::dump_raw(std::ostream& s_oss, unsigned int indent)const
|
||||
s_oss << std::endl;
|
||||
}
|
||||
|
||||
CParser::STATUS_TYPE cxxIsotope::read_raw(CParser& parser)
|
||||
CParser::STATUS_TYPE cxxSolutionIsotope::read_raw(CParser& parser)
|
||||
{
|
||||
std::string token;
|
||||
std::istream::pos_type next_char;
|
||||
@ -168,25 +168,25 @@ CParser::STATUS_TYPE cxxIsotope::read_raw(CParser& parser)
|
||||
return CParser::PARSER_OK;
|
||||
}
|
||||
|
||||
bool cxxIsotope::operator<(const cxxIsotope& isotope)const
|
||||
bool cxxSolutionIsotope::operator<(const cxxSolutionIsotope& isotope)const
|
||||
{
|
||||
int i = Utilities::strcmp_nocase(this->elt_name, isotope.elt_name);
|
||||
if (i != 0) return (i < 0);
|
||||
return ( this->isotope_number < isotope.isotope_number );
|
||||
}
|
||||
|
||||
struct master *cxxIsotope::master(void)
|
||||
struct master *cxxSolutionIsotope::master(void)
|
||||
{
|
||||
return (master_bsearch(this->elt_name));
|
||||
}
|
||||
|
||||
struct master *cxxIsotope::primary(void)
|
||||
struct master *cxxSolutionIsotope::primary(void)
|
||||
{
|
||||
return (master_bsearch_primary(this->elt_name));
|
||||
}
|
||||
|
||||
#ifdef SKIP
|
||||
cxxIsotope::STATUS cxxIsotope::read(CParser& parser)
|
||||
cxxSolutionIsotope::STATUS cxxSolutionIsotope::read(CParser& parser)
|
||||
{
|
||||
if ( !(parser.get_iss() >> this->isotope_number) ) {
|
||||
assert(parser.get_iss().fail());
|
||||
@ -1,25 +1,25 @@
|
||||
#if !defined(ISOTOPE_H_INCLUDED)
|
||||
#define ISOTOPE_H_INCLUDED
|
||||
#if !defined(SOLUTIONISOTOPE_H_INCLUDED)
|
||||
#define SOLUTIONISOTOPE_H_INCLUDED
|
||||
|
||||
#include "Parser.h"
|
||||
#include <ostream> // std::ostream
|
||||
#include <string> // std::string
|
||||
#include <list> // std::list
|
||||
|
||||
class cxxIsotope
|
||||
class cxxSolutionIsotope
|
||||
{
|
||||
public:
|
||||
cxxIsotope(void);
|
||||
cxxIsotope(struct isotope *isotope_ptr);
|
||||
~cxxIsotope(void);
|
||||
cxxSolutionIsotope(void);
|
||||
cxxSolutionIsotope(struct isotope *isotope_ptr);
|
||||
~cxxSolutionIsotope(void);
|
||||
|
||||
enum STATUS {
|
||||
ERROR = 0,
|
||||
OK = 1
|
||||
};
|
||||
|
||||
//cxxIsotope::STATUS read(CParser& parser);
|
||||
static struct isotope * list2isotope(std::list<cxxIsotope> &t);
|
||||
//cxxSolutionIsotope::STATUS read(CParser& parser);
|
||||
static struct isotope * list2isotope(std::list<cxxSolutionIsotope> &t);
|
||||
|
||||
void dump_xml(std::ostream& os, unsigned int indent)const;
|
||||
void dump_raw(std::ostream& os, unsigned int indent)const;
|
||||
@ -37,7 +37,7 @@ public:
|
||||
|
||||
bool get_ratio_uncertainty_defined()const { return this->ratio_uncertainty_defined; }
|
||||
|
||||
bool operator<(const cxxIsotope& conc)const;
|
||||
bool operator<(const cxxSolutionIsotope& conc)const;
|
||||
|
||||
struct master *master(void);
|
||||
struct master *primary(void);
|
||||
@ -53,4 +53,4 @@ private:
|
||||
//struct master *primary;
|
||||
bool ratio_uncertainty_defined;
|
||||
};
|
||||
#endif // ISOTOPE_H_INCLUDED
|
||||
#endif // SOLUTIONISOTOPE_H_INCLUDED
|
||||
Loading…
x
Reference in New Issue
Block a user