iphreeqc/SSassemblage.cxx

// SSassemblage.cxx: implementation of the cxxSSassemblage class.
//
//////////////////////////////////////////////////////////////////////
#ifdef _DEBUG
#pragma warning(disable : 4786)   // disable truncation warning (Only used by debugger)
#endif

#include "Utils.h"   // define first
#include "SSassemblage.h"
#include "SSassemblageSS.h"
#define EXTERNAL extern
#include "global.h"
#include "phqalloc.h"
#include "phrqproto.h"
#include <cassert>     // assert
#include <algorithm>   // std::sort 

//////////////////////////////////////////////////////////////////////
// Construction/Destruction
//////////////////////////////////////////////////////////////////////

cxxSSassemblage::cxxSSassemblage()
        //
        // default constructor for cxxSSassemblage 
        //
: cxxNumKeyword()
{
}

cxxSSassemblage::cxxSSassemblage(struct s_s_assemblage *s_s_assemblage_ptr)
        //
        // constructor for cxxSSassemblage from struct SSassemblage
        //
: 
cxxNumKeyword()
{
        int i;
        this->set_description(s_s_assemblage_ptr->description);
        n_user                       = s_s_assemblage_ptr->n_user;        
        n_user_end                   = s_s_assemblage_ptr->n_user_end;  
        for (i = 0; i < s_s_assemblage_ptr->count_s_s; i++) {
                cxxSSassemblageSS ssSS(&(s_s_assemblage_ptr->s_s[i]));
                ssAssemblageSSs.push_back(ssSS);
        }
}

cxxSSassemblage::~cxxSSassemblage()
{
}

struct s_s_assemblage *cxxSSassemblage::cxxSSassemblage2s_s_assemblage()
        //
        // Builds a s_s_assemblage structure from instance of cxxSSassemblage 
        //
{
        struct s_s_assemblage *s_s_assemblage_ptr = s_s_assemblage_alloc();
        
        s_s_assemblage_ptr->description                 = this->get_description();  
        s_s_assemblage_ptr->n_user                      = this->n_user;               
        s_s_assemblage_ptr->n_user_end                  = this->n_user_end;           
        s_s_assemblage_ptr->new_def                     = FALSE;                    
        s_s_assemblage_ptr->count_s_s                   = this->ssAssemblageSSs.size();
        s_s_assemblage_ptr->s_s                         = cxxSSassemblageSS::cxxSSassemblageSS2s_s(this->ssAssemblageSSs);
        return(s_s_assemblage_ptr);
}

#ifdef SKIP
void cxxSSassemblage::dump_xml(std::ostream& s_oss, unsigned int indent)const
{
        //const char    ERR_MESSAGE[] = "Packing SSassemblage message: %s, element not found\n";
        unsigned int i;
        s_oss.precision(DBL_DIG - 1);
        std::string indent0(""), indent1(""), indent2("");
        for(i = 0; i < indent; ++i) indent0.append(Utilities::INDENT);
        for(i = 0; i < indent + 1; ++i) indent1.append(Utilities::INDENT);
        for(i = 0; i < indent + 2; ++i) indent2.append(Utilities::INDENT);

        // SSassemblage element and attributes
        s_oss << indent0;
        s_oss << "<EQUILIBRIUM_PHASES " << std::endl;

        // eltList
        this->eltList.dump_xml(s_oss, indent + 1);

        // ssAssemblageSSs
        s_oss << indent1;
        s_oss << "<pure_phases " << std::endl;
        for (std::list<cxxSSassemblageSS>::const_iterator it = ssAssemblageSSs.begin(); it != ssAssemblageSSs.end(); ++it) {
                it->dump_xml(s_oss, indent + 2);
        }
}
#endif
void cxxSSassemblage::dump_raw(std::ostream& s_oss, unsigned int indent)const
{
        //const char    ERR_MESSAGE[] = "Packing SSassemblage message: %s, element not found\n";
        unsigned int i;
        s_oss.precision(DBL_DIG - 1);
        std::string indent0(""), indent1(""), indent2("");
        for(i = 0; i < indent; ++i) indent0.append(Utilities::INDENT);
        for(i = 0; i < indent + 1; ++i) indent1.append(Utilities::INDENT);
        for(i = 0; i < indent + 2; ++i) indent2.append(Utilities::INDENT);

        // SSassemblage element and attributes
        s_oss << indent0;
        s_oss << "SOLID_SOLUTIONS_RAW       " << this->n_user  << " " << this->description << std::endl;

        // ssAssemblageSSs
        for (std::list<cxxSSassemblageSS>::const_iterator it = ssAssemblageSSs.begin(); it != ssAssemblageSSs.end(); ++it) {
                s_oss << indent1;
                s_oss << "-solid_solution" << std::endl;
                it->dump_raw(s_oss, indent + 2);
        }
}

void cxxSSassemblage::read_raw(CParser& parser)
{
        static std::vector<std::string> vopts;
        if (vopts.empty()) {
                vopts.reserve(10);
                 vopts.push_back("solid_solution");                  // 0
        }                                                      
                                                               
        std::istream::pos_type ptr;                            
        std::istream::pos_type next_char;                      
        std::string token;                                     
        int opt_save;
        bool useLastLine(false);

        // Read SSassemblage number and description
        this->read_number_description(parser);

        opt_save = CParser::OPT_ERROR;

        for (;;)
        {
                int opt;
                if (useLastLine == false) {
                        opt = parser.get_option(vopts, next_char);
                } else {
                        opt = parser.getOptionFromLastLine(vopts, next_char);
                }
                if (opt == CParser::OPT_DEFAULT)
                {
                        opt = opt_save;
                }
                switch (opt)
                {
                case CParser::OPT_EOF:
                        break;
                case CParser::OPT_KEYWORD:
                        break;
                case CParser::OPT_DEFAULT:
                case CParser::OPT_ERROR:
                        opt = CParser::OPT_EOF;
                        parser.error_msg("Unknown input in EQUILIBRIUM_PHASES_RAW keyword.", CParser::OT_CONTINUE);
                        parser.error_msg(parser.line().c_str(), CParser::OT_CONTINUE);
                        useLastLine = false;
                        break;

                case 0: // solid_solution
                        {
                                cxxSSassemblageSS ssSS;
                                ssSS.read_raw(parser);
                                this->ssAssemblageSSs.push_back(ssSS);
                        }
                        useLastLine = true;
                        break;
                }
                if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD) break;
        }
}