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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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b7729cf254
Started removing PHREEQC_PTR and P_INSTANCE. Redid all read_raw. Breaks some echoing or printing of output. Need to check why. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5646 1feff8c3-07ed-0310-ac33-dd36852eb9cd
62 lines
1.8 KiB
C++
62 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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struct master *get_master(PHREEQC_PTR_ARG);
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const std::string &get_phase_name() const;
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void set_phase_name(char * f);
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const std::string &get_rate_name() const;
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void set_rate_name(char * f);
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const std::string &get_formula() const;
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void set_formula(char * f);
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double get_charge_balance() const;
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void set_charge_balance(double d);
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static struct surface_comp *cxxSurfaceComp2surface_comp(PHREEQC_PTR_ARG_COMMA std::map < std::string, 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, bool check = true);
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const cxxNameDouble & get_totals() const;
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void add(PHREEQC_PTR_ARG_COMMA const cxxSurfaceComp & comp, double extensive);
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void multiply(double extensive);
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std::string charge_name(PHREEQC_PTR_ARG);
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static std::string get_charge_name(PHREEQC_PTR_ARG_COMMA char *token);
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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 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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std::string phase_name;
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double phase_proportion;
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std::string 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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