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6acf05a1a0
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5658 1feff8c3-07ed-0310-ac33-dd36852eb9cd
85 lines
2.0 KiB
C++
85 lines
2.0 KiB
C++
#if !defined(PPASSEMBLAGECOMP_H_INCLUDED)
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#define PPASSEMBLAGECOMP_H_INCLUDED
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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 "NameDouble.h"
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#include "phreeqc_class.h"
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class cxxPPassemblageComp: public PHRQ_base
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{
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public:
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cxxPPassemblageComp(PHRQ_io *io=NULL);
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cxxPPassemblageComp(struct pure_phase *, PHRQ_io *io=NULL);
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~cxxPPassemblageComp();
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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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void totalize(PHREEQC_PTR_ARG);
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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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double Get_si() const {return this->si;};
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double Get_moles() const {return this->moles;};
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double Get_delta() const {return this->delta;};
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double Get_initial_moles() const {return this->initial_moles;};
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bool Get_force_equality() const {return this->force_equality;};
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bool Get_dissolve_only() const {return this->dissolve_only;};
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bool Get_precipitate_only() const {return this->precipitate_only;};
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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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