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https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-15 16:18:22 +01:00
Changed name to ISolutionComp.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@797 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
2fe8f7d44e
commit
90a787e420
@ -2,7 +2,7 @@
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#pragma warning(disable : 4786) // disable truncation warning (Only used by debugger)
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#endif
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#include "SolutionComp.h"
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#include "ISolutionComp.h"
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#include "ISolution.h"
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#include "Utils.h"
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#include <cassert>
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@ -11,7 +11,7 @@
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#include "phrqproto.h"
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#include "phqalloc.h"
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cxxSolutionComp::cxxSolutionComp(void)
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cxxISolutionComp::cxxISolutionComp(void)
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: description(NULL)
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, moles(0.0)
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, input_conc(0.0)
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@ -25,7 +25,7 @@ cxxSolutionComp::cxxSolutionComp(void)
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//, phase(NULL)
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{
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}
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cxxSolutionComp::cxxSolutionComp(struct conc *conc_ptr)
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cxxISolutionComp::cxxISolutionComp(struct conc *conc_ptr)
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{
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description = conc_ptr->description;
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moles = conc_ptr->moles;
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@ -40,11 +40,11 @@ cxxSolutionComp::cxxSolutionComp(struct conc *conc_ptr)
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//phase = conc_ptr->phase;
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}
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cxxSolutionComp::~cxxSolutionComp(void)
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cxxISolutionComp::~cxxISolutionComp(void)
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{
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}
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/*
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struct conc *cxxSolutionComp::concarray(std::map <char *, double, CHARSTAR_LESS> &totals)
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struct conc *cxxISolutionComp::concarray(std::map <char *, double, CHARSTAR_LESS> &totals)
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// for Solutions, not ISolutions
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// takes a map of (elt name, moles)
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// returns list of conc structures
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@ -71,16 +71,16 @@ struct conc *cxxSolutionComp::concarray(std::map <char *, double, CHARSTAR_LESS>
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return(c);
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}
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*/
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struct conc *cxxSolutionComp::cxxSolutionComp2conc(const std::set <cxxSolutionComp> &totals)
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struct conc *cxxISolutionComp::cxxISolutionComp2conc(const std::set <cxxISolutionComp> &totals)
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// for ISolutions
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// takes a std::vector cxxSolutionComp structures
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// takes a std::vector cxxISolutionComp structures
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// returns list of conc structures
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{
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struct conc *c;
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c = (struct conc *) PHRQ_malloc((size_t) ((totals.size() + 1) * sizeof(struct conc)));
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if (c == NULL) malloc_error();
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int i = 0;
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for (std::set<cxxSolutionComp>::const_iterator it = totals.begin(); it != totals.end(); ++it) {
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for (std::set<cxxISolutionComp>::const_iterator it = totals.begin(); it != totals.end(); ++it) {
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c[i].description = it->description;
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c[i].moles = it->moles;
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c[i].input_conc = it->input_conc;
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@ -99,7 +99,7 @@ struct conc *cxxSolutionComp::cxxSolutionComp2conc(const std::set <cxxSolutionCo
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}
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#ifdef SKIP
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cxxSolutionComp::STATUS_TYPE cxxSolutionComp::read(CParser& parser, cxxISolution& solution)
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cxxISolutionComp::STATUS_TYPE cxxISolutionComp::read(CParser& parser, cxxISolution& solution)
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{
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// std::string& str = parser.line();
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std::string str = parser.line();
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@ -133,7 +133,7 @@ cxxSolutionComp::STATUS_TYPE cxxSolutionComp::read(CParser& parser, cxxISolution
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if (count_redox_states == 0) {
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parser.incr_input_error();
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parser.error_msg("No element or master species given for concentration input.", CParser::OT_CONTINUE);
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return cxxSolutionComp::ERROR;
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return cxxISolutionComp::ERROR;
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}
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description = token1;
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@ -149,9 +149,9 @@ cxxSolutionComp::STATUS_TYPE cxxSolutionComp::read(CParser& parser, cxxISolution
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std::ostringstream err;
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err << "Concentration data error for " << token1 << " in solution input.";
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parser.error_msg(err, CParser::OT_CONTINUE);
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return cxxSolutionComp::ERROR;
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return cxxISolutionComp::ERROR;
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}
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxSolutionComp::OK;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxISolutionComp::OK;
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// Read optional data
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token1 = token;
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@ -160,9 +160,9 @@ cxxSolutionComp::STATUS_TYPE cxxSolutionComp::read(CParser& parser, cxxISolution
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if (parser.check_units(token1, alk, false, solution.get_units(), false) == CParser::OK) {
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if (parser.check_units(token1, alk, false, solution.get_units(), true) == CParser::OK) {
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this->units = token1;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxSolutionComp::OK;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxISolutionComp::OK;
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} else {
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return cxxSolutionComp::ERROR;
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return cxxISolutionComp::ERROR;
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}
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}
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@ -173,49 +173,49 @@ cxxSolutionComp::STATUS_TYPE cxxSolutionComp::read(CParser& parser, cxxISolution
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{
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parser.copy_token(token, ptr);
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this->as = token;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxSolutionComp::OK;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxISolutionComp::OK;
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}
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// Check for "gfw" followed by gram formula weight
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else if (token1.compare("gfw") == 0)
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{
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if (parser.copy_token(token, ptr) != CParser::TT_DIGIT) {
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parser.error_msg("Expecting gram formula weight.", CParser::OT_CONTINUE);
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return cxxSolutionComp::ERROR;
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return cxxISolutionComp::ERROR;
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} else {
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parser.get_iss() >> this->gfw;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxSolutionComp::OK;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxISolutionComp::OK;
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}
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}
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// Check for redox couple for pe
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if ( Utilities::strcmp_nocase_arg1(token.c_str(), "pe") == 0 ) {
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this->n_pe = cxxPe_Data::store(solution.pe, token);
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxSolutionComp::OK;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxISolutionComp::OK;
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} else if (token.find("/") != std::string::npos) {
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if (parser.parse_couple(token) == CParser::OK) {
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this->n_pe = cxxPe_Data::store(solution.pe, token);
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxSolutionComp::OK;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxISolutionComp::OK;
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} else {
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return cxxSolutionComp::ERROR;
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return cxxISolutionComp::ERROR;
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}
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}
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// Must have phase
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this->equation_name = token;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxSolutionComp::OK;
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if ( (j = parser.copy_token(token, ptr)) == CParser::TT_EMPTY) return cxxISolutionComp::OK;
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// Check for saturation index
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if (!(std::istringstream(token) >> this->phase_si))
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{
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parser.error_msg("Expected saturation index.", CParser::OT_CONTINUE);
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return cxxSolutionComp::ERROR;
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return cxxISolutionComp::ERROR;
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}
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return cxxSolutionComp::OK;
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return cxxISolutionComp::OK;
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}
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#endif
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#ifdef SKIP
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void cxxSolutionComp::dump_xml(std::ostream& s_oss, unsigned int indent)const
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void cxxISolutionComp::dump_xml(std::ostream& s_oss, unsigned int indent)const
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{
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unsigned int i;
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std::string indent0("");
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@ -1,5 +1,5 @@
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#if !defined(SOLUTIONCOMP_H_INCLUDED)
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#define SOLUTIONCOMP_H_INCLUDED
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#if !defined(ISOLUTIONCOMP_H_INCLUDED)
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#define ISOLUTIONCOMP_H_INCLUDED
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//#include "Parser.h"
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#include "Utils.h"
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@ -13,17 +13,12 @@
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// forward declarations
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class cxxISolution; // reqd for read and dump_xml
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class cxxSolutionComp
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class cxxISolutionComp
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{
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public:
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cxxSolutionComp(void);
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cxxSolutionComp(struct conc *conc_ptr);
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~cxxSolutionComp(void);
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enum STATUS_TYPE {
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ERROR = 0,
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OK = 1
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};
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cxxISolutionComp(void);
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cxxISolutionComp(struct conc *conc_ptr);
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~cxxISolutionComp(void);
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public:
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@ -46,9 +41,9 @@ public:
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int get_n_pe()const {return this->n_pe;}
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void set_n_pe(int n_pe) {this->n_pe = n_pe;}
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bool operator<(const cxxSolutionComp& conc)const { return ::strcmp(this->description, conc.description) < 0; }
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bool operator<(const cxxISolutionComp& conc)const { return ::strcmp(this->description, conc.description) < 0; }
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static struct conc * cxxSolutionComp2conc(const std::set<cxxSolutionComp> &t );
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static struct conc * cxxISolutionComp2conc(const std::set<cxxISolutionComp> &t );
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private:
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char * description;
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@ -62,4 +57,4 @@ private:
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double gfw;
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};
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#endif // SOLUTIONCOMP_H_INCLUDED
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#endif // ISOLUTIONCOMP_H_INCLUDED
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