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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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b0b007ca92
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
101 lines
2.9 KiB
C++
101 lines
2.9 KiB
C++
#if !defined(GASPHASE_H_INCLUDED)
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#define GASPHASE_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 "phrqtype.h"
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#include "NumKeyword.h"
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#include "NameDouble.h"
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#include "GasComp.h"
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class cxxMix;
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class cxxGasPhase:public cxxNumKeyword
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{
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public:
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cxxGasPhase(PHRQ_io * io=NULL);
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cxxGasPhase(std::map < int, cxxGasPhase > &entity_map,
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cxxMix & mx, int n_user, PHRQ_io * io=NULL);
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~cxxGasPhase();
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enum GP_TYPE
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{
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GP_PRESSURE = 0,
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GP_VOLUME = 1
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};
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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, int *n_out=NULL) const;
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void read_raw(CParser & parser, bool check = true);
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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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void totalize(Phreeqc * phreeqc_ptr);
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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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std::vector<cxxGasComp> & Get_gas_comps(void) {return gas_comps;};
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const std::vector<cxxGasComp> & Get_gas_comps(void)const {return gas_comps;};
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void Set_gas_comps(const std::vector<cxxGasComp> v) {gas_comps = v;};
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GP_TYPE Get_type(void) const {return type;};
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void Set_type(GP_TYPE t) {type = t;};
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LDBLE Get_total_p(void) const {return total_p;};
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void Set_total_p(LDBLE t) {total_p = t;};
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LDBLE Get_volume(void) const {return volume;};
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void Set_volume(LDBLE v) {volume = v;};
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LDBLE Get_v_m(void) const {return v_m;};
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void Set_v_m(LDBLE v) {v_m = v;};
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bool Get_pr_in(void) const {return pr_in;};
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void Set_pr_in(bool tf) {pr_in = tf;};
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cxxNameDouble & Get_totals(void) {return totals;};
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bool Get_new_def(void) const {return this->new_def;};
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void Set_new_def(bool tf) {this->new_def = tf;};
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bool Get_solution_equilibria(void) const {return this->solution_equilibria;};
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void Set_solution_equilibria(bool tf) {this->solution_equilibria = tf;};
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int Get_n_solution(void) const {return this->n_solution;};
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void Set_n_solution(int i) {this->n_solution = i;};
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LDBLE Get_total_moles(void)const {return total_moles;};
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void Set_total_moles(LDBLE t) {total_moles = t;};
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LDBLE Get_temperature(void)const {return temperature;};
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void Set_temperature(LDBLE t) {temperature = t;};
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LDBLE Calc_total_moles(void)const;
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cxxGasComp *Find_comp(const char * comp_name);
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protected:
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void add(const cxxGasPhase & addee, LDBLE extensive);
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protected:
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// candidate variables for GAS_PHASE_MODIFY
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GP_TYPE type;
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LDBLE total_p;
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LDBLE volume;
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std::vector<cxxGasComp> gas_comps;
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// GAS_PHASE_MODIFY with new_def=true variables
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bool new_def;
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bool solution_equilibria;
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int n_solution;
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LDBLE temperature;
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// internal variables
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LDBLE total_moles;
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LDBLE v_m;
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bool pr_in;
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cxxNameDouble totals;
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const static std::vector < std::string > vopts;
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};
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#endif // !defined(GASPHASE_H_INCLUDED)
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