mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
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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
67 lines
1.8 KiB
C++
67 lines
1.8 KiB
C++
#if !defined(NAMEDOUBLE_H_INCLUDED)
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#define NAMEDOUBLE_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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class Phreeqc;
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#include "Parser.h"
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#include "phrqtype.h"
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class cxxISolutionComp;
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class cxxNameDouble:public
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std::map < std::string, LDBLE >
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{
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public:
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enum ND_TYPE
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{
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ND_ELT_MOLES = 1,
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ND_SPECIES_LA = 2,
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ND_SPECIES_GAMMA = 3,
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ND_NAME_COEF = 4
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};
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cxxNameDouble();
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cxxNameDouble(struct elt_list *);
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cxxNameDouble(struct elt_list *, int count);
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cxxNameDouble(std::map < std::string, cxxISolutionComp > &comps);
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cxxNameDouble(struct name_coef *nc, int count);
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cxxNameDouble(const cxxNameDouble & old, LDBLE factor);
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~cxxNameDouble();
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LDBLE Get_total_element(const char *string) const;
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cxxNameDouble Simplify_redox(void);
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void Multiply_activities_redox(std::string, LDBLE f);
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void dump_xml(std::ostream & s_oss, unsigned int indent) const;
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void dump_raw(std::ostream & s_oss, unsigned int indent) const;
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CParser::STATUS_TYPE read_raw(CParser & parser, std::istream::pos_type & pos);
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void add_extensive(const cxxNameDouble & old, LDBLE factor);
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void add_intensive(const cxxNameDouble & addee, LDBLE fthis, LDBLE f2);
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void add_log_activities(const cxxNameDouble & addee, LDBLE fthis, LDBLE f2);
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void add(const char *key, LDBLE total);
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void multiply(LDBLE factor);
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void merge_redox(const cxxNameDouble & source);
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std::vector< std::pair<std::string, LDBLE> > sort_second(void);
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void
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insert(const char *str, LDBLE d)
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{
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(*this)[str] = d;
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}
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void mpi_pack(std::vector < int >&ints, std::vector < LDBLE >&doubles);
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void mpi_pack(int *ints, int *ii, LDBLE *doubles, int *dd);
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void mpi_unpack(int *ints, int *ii, LDBLE *doubles, int *dd);
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enum ND_TYPE type;
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};
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#endif // !defined(NAMEDOUBLE_H_INCLUDED)
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