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7683982877
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
65 lines
1.8 KiB
C++
65 lines
1.8 KiB
C++
#if !defined(SURFACECOMP_H_INCLUDED)
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#define SURFACECOMP_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 "Phreeqc_class.h"
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#include "NameDouble.h"
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class cxxSurfaceComp: public PHRQ_base
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{
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public:
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cxxSurfaceComp(PHRQ_io *io=NULL);
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cxxSurfaceComp(struct surface_comp *, PHRQ_io *io=NULL);
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~cxxSurfaceComp();
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const std::string &Get_phase_name() const;
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void Set_phase_name(const char * f);
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const std::string &Get_rate_name() const;
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void Set_rate_name(const char * f);
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const std::string &Get_formula() const;
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void Set_formula(const char * f);
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LDBLE Get_charge_balance() const;
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void Set_charge_balance(LDBLE d);
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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 cxxNameDouble & Get_totals() const;
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const cxxNameDouble & Get_formula_totals() const;
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LDBLE Get_formula_z(void) const {return formula_z;};
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LDBLE Get_moles(void) const {return moles;};
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LDBLE Get_la(void) const {return la;};
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LDBLE Get_phase_proportion(void) const {return phase_proportion;};
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LDBLE Get_Dw(void) const {return Dw;};
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void add(const cxxSurfaceComp & 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 formula;
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cxxNameDouble formula_totals;
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LDBLE formula_z;
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LDBLE moles;
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cxxNameDouble totals;
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LDBLE la;
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//int charge_number;
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LDBLE charge_balance;
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std::string phase_name;
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LDBLE phase_proportion;
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std::string rate_name;
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LDBLE Dw;
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public:
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};
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#endif // !defined(SURFACECOMP_H_INCLUDED)
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