mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 16:44:49 +01:00
91f650a5e9
All reactant structs have been removed. Tony's pressure uses mu in pressure term of log_k. Test cases run, discriminant check at 1e-8. Still want to optimize out some k_temp calls and checks for same T, P, mu. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
69 lines
2.1 KiB
C++
69 lines
2.1 KiB
C++
#if !defined(SSCOMP_H_INCLUDED)
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#define SSCOMP_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 cxxSScomp: public PHRQ_base
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{
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public:
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cxxSScomp(PHRQ_io *io=NULL);
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virtual ~cxxSScomp();
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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(std::string s) {this->name = s;}
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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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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_init_moles() const {return this->init_moles;}
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void Set_init_moles(LDBLE t) {this->init_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_fraction_x() const {return this->fraction_x;}
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void Set_fraction_x(LDBLE t) {this->fraction_x = t;}
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LDBLE Get_log10_lambda() const {return this->log10_lambda;}
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void Set_log10_lambda(LDBLE t) {this->log10_lambda = t;}
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LDBLE Get_log10_fraction_x() const {return this->log10_fraction_x;}
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void Set_log10_fraction_x(LDBLE t) {this->log10_fraction_x = t;}
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LDBLE Get_dn() const {return this->dn;}
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void Set_dn(LDBLE t) {this->dn = t;}
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LDBLE Get_dnc() const {return this->dnc;}
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void Set_dnc(LDBLE t) {this->dnc = t;}
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LDBLE Get_dnb() const {return this->dnb;}
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void Set_dnb(LDBLE t) {this->dnb = t;}
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void multiply(double extensive);
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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 name;
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// SOLID_SOLUTION_MODIFY candidate identifier
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LDBLE moles;
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// Solid solution workspace variables
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LDBLE initial_moles;
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LDBLE init_moles;
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LDBLE delta;
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LDBLE fraction_x;
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LDBLE log10_lambda;
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LDBLE log10_fraction_x;
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LDBLE dn, dnc, dnb;
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};
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#endif // !defined(SSCOMP_H_INCLUDED)
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