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7830f46d8d
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2057 1feff8c3-07ed-0310-ac33-dd36852eb9cd
85 lines
1.9 KiB
C++
85 lines
1.9 KiB
C++
#if !defined(SURFACECOMP_H_INCLUDED)
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#define SURFACECOMP_H_INCLUDED
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#include "NameDouble.h"
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#define EXTERNAL extern
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#include "global.h"
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#include "phrqproto.h"
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#include <cassert> // assert
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#include <map> // std::map
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#include <string> // std::string
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#include <list> // std::list
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#include <vector> // std::vector
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#include "char_star.h"
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class cxxSurfaceComp
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{
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public:
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cxxSurfaceComp();
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cxxSurfaceComp(struct surface_comp *);
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~cxxSurfaceComp();
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struct master *get_master();
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char *get_phase_name()const {return this->phase_name;}
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char *get_rate_name()const {return this->rate_name;}
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char *get_formula()const {return this->formula;}
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static struct surface_comp *cxxSurfaceComp2surface_comp(std::list<cxxSurfaceComp>& el);
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void dump_xml(std::ostream& os, unsigned int indent = 0)const;
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void dump_raw(std::ostream& s_oss, unsigned int indent)const;
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void read_raw(CParser& parser);
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const cxxNameDouble &get_totals()const
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{
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return (this->totals);
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};
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void add(const cxxSurfaceComp &comp, double extensive);
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void multiply(double extensive);
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char *charge_name() {return(get_charge_name(this->formula));};
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static char *get_charge_name(char * token) {
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char name[100];
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int l;
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char *ptr1 = token;
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get_elt (&ptr1, name, &l);
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ptr1 = strchr (name, '_');
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if (ptr1 != NULL)
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{
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ptr1[0] = '\0';
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}
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return(string_hsave(name));
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};
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#ifdef USE_MPI
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void mpi_pack(std::vector<int>& ints, std::vector<double>& doubles);
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void mpi_unpack(int *ints, int *ii, double *doubles, int *dd);
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#endif
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protected:
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char * formula;
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cxxNameDouble formula_totals;
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double formula_z;
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double moles;
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cxxNameDouble totals;
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double la;
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//int charge_number;
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double charge_balance;
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char *phase_name;
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double phase_proportion;
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char *rate_name;
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double Dw;
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public:
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};
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#endif // !defined(SURFACECOMP_H_INCLUDED)
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