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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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d54c04039a
surface is completed but needs testing. SS and kinetics need to have reread of components implemented for MODIFY option. gas_phase may be done, needs to be tested. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3726 1feff8c3-07ed-0310-ac33-dd36852eb9cd
79 lines
1.9 KiB
C++
79 lines
1.9 KiB
C++
#if !defined(SURFACE_H_INCLUDED)
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#define SURFACE_H_INCLUDED
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#include "NumKeyword.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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#include "char_star.h"
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#include "SurfaceComp.h"
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#include "SurfaceCharge.h"
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#include "cxxMix.h"
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class cxxSurface:public cxxNumKeyword
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{
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public:
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cxxSurface();
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cxxSurface(struct surface *);
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cxxSurface(const std::map < int, cxxSurface > &entity_map, cxxMix & mx,
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int n_user);
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~cxxSurface();
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//enum SURFACE_STYPE { UNKNOWN_DL, NO_EDL, DDL, CD_MUSIC };
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//enum SURFACE_DL_TYPE { NO_DL, BORKOVEC_DL, DONNAN_DL } ;
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//enum SURFACE_SITES_UNITS { SITES_ABSOLUTE, SITES_DENSITY } ;
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struct surface *cxxSurface2surface();
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struct surf_comp *cxxSurfaceComp2surf_comp();
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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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bool get_related_phases(void);
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bool get_related_rate(void);
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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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#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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private:
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void add(const cxxSurface & addee, double extensive);
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protected:
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std::map < std::string, cxxSurfaceComp > surfaceComps;
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std::map < std::string, cxxSurfaceCharge > surfaceCharges;
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enum SURFACE_TYPE type;
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enum DIFFUSE_LAYER_TYPE dl_type;
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enum SITES_UNITS sites_units;
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bool only_counter_ions;
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double thickness;
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double debye_lengths;
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double DDL_viscosity;
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double DDL_limit;
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bool transport;
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cxxNameDouble totals;
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public:
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//static std::map<int, cxxSurface>& map;
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};
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#endif // !defined(SURFACE_H_INCLUDED)
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