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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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07d5fa7413
removed char * and used std::string's and std::map's git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3847 1feff8c3-07ed-0310-ac33-dd36852eb9cd
84 lines
1.7 KiB
C++
84 lines
1.7 KiB
C++
#if !defined(PPASSEMBLAGECOMP_H_INCLUDED)
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#define PPASSEMBLAGECOMP_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 <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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class cxxPPassemblageComp
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{
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public:
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cxxPPassemblageComp();
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cxxPPassemblageComp(struct pure_phase *);
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~cxxPPassemblageComp();
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static struct pure_phase *cxxPPassemblageComp2pure_phase(std::map < std::string, cxxPPassemblageComp > &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, bool check = true);
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const std::string &get_name() const
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{
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return this->name;
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}
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void set_name(char * s)
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{
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if(s != NULL)
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this->name = std::string(s);
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else
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this->name.clear();
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}
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const std::string &get_add_formula() const
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{
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return this->add_formula;
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}
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void set_add_formula(char * s)
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{
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if(s != NULL)
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this->add_formula = std::string(s);
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else
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this->add_formula.clear();
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}
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struct phase *get_phase();
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void totalize();
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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 cxxPPassemblageComp & comp, double extensive);
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void multiply(double extensive);
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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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std::string name;
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std::string add_formula;
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double si;
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double moles;
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double delta;
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double initial_moles;
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bool force_equality;
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bool dissolve_only;
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bool precipitate_only;
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cxxNameDouble totals;
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public:
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};
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#endif // !defined(PPASSEMBLAGECOMP_H_INCLUDED)
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