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7683982877
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
89 lines
2.6 KiB
C++
89 lines
2.6 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 {return this->name;}
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void Set_name(const 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 {return this->add_formula;}
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void Set_add_formula(const 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 {return (this->totals);}
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void Get_totals(cxxNameDouble & nd) {this->totals = nd;}
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LDBLE Get_si() const {return this->si;}
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void Set_si(LDBLE t) {this->si = t;}
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LDBLE Get_si_org() const {return this->si_org;}
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void Set_si_org(LDBLE t) {this->si_org = t;}
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LDBLE Get_moles() const {return this->moles;}
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void Set_moles(LDBLE t) {this->moles = t;}
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LDBLE Get_delta() const {return this->delta;}
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void Set_delta(LDBLE t) {this->delta = t;}
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LDBLE Get_initial_moles() const {return this->initial_moles;}
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void Set_initial_moles(LDBLE t) {this->initial_moles = t;}
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bool Get_force_equality() const {return this->force_equality;}
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void Set_force_equality(bool tf) {this->force_equality = tf;}
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bool Get_dissolve_only() const {return this->dissolve_only;}
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void Set_dissolve_only(bool tf) {this->dissolve_only = tf;}
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bool Get_precipitate_only() const {return this->precipitate_only;}
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void Set_precipitate_only(bool tf) {this->precipitate_only = tf;}
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void add(const cxxPPassemblageComp & comp, LDBLE extensive);
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void multiply(LDBLE extensive);
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#ifdef USE_MPI
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void mpi_pack(std::vector < int >&ints, std::vector < LDBLE >&doubles);
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void mpi_unpack(int *ints, int *ii, LDBLE *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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LDBLE si;
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LDBLE si_org;
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LDBLE moles;
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LDBLE delta;
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LDBLE 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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