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git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5992 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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David L Parkhurst
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234
GasComp.cxx
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234
GasComp.cxx
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// ExchComp.cxx: implementation of the cxxExchComp class.
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//
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//////////////////////////////////////////////////////////////////////
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#ifdef _DEBUG
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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 <iostream> // std::cout std::cerr
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#include <cassert> // assert
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#include <algorithm> // std::sort
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#include <float.h>
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#include "Utils.h" // define first
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#include "Phreeqc.h"
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#include "GasComp.h"
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#include "phqalloc.h"
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//////////////////////////////////////////////////////////////////////
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// Construction/Destruction
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//////////////////////////////////////////////////////////////////////
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cxxGasComp::cxxGasComp(PHRQ_io *io)
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//
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// default constructor for cxxExchComp
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//
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: PHRQ_base(io)
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{
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p_read = 0.0;
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moles = 0.0;
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initial_moles = 0.0;
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}
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cxxGasComp::~cxxGasComp()
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{
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}
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void
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cxxGasComp::dump_raw(std::ostream & s_oss, unsigned int indent) const
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{
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//const char ERR_MESSAGE[] = "Packing exch_comp message: %s, element not found\n";
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unsigned int i;
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s_oss.precision(DBL_DIG - 1);
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std::string indent0(""), indent1(""), indent2("");
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for (i = 0; i < indent; ++i)
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indent0.append(Utilities::INDENT);
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for (i = 0; i < indent + 1; ++i)
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indent1.append(Utilities::INDENT);
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for (i = 0; i < indent + 2; ++i)
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indent2.append(Utilities::INDENT);
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/*
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std::string phase_name;
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std::string name;
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LDBLE p_read;
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LDBLE moles;
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LDBLE initial_moles; // Exch_Comp element and attributes
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*/
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s_oss << indent0 << "-phase_name " << this->phase_name << "\n";
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//s_oss << indent0 << "-name " << this->name << "\n";
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s_oss << indent0 << "-p_read " << this->p_read << "\n";
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s_oss << indent0 << "-moles " << this->moles << "\n";
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s_oss << indent0 << "-initial_moles " << this->initial_moles << "\n";
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//s_oss << indent1 << "# critical values" << "\n";
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}
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bool
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cxxGasComp::read_raw(CParser & parser, bool check)
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{
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std::string str;
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static std::vector < std::string > vopts;
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if (vopts.empty())
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{
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vopts.reserve(10);
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vopts.push_back("phase_name"); // 0
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vopts.push_back("name"); // 1
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vopts.push_back("p_read"); // 2
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vopts.push_back("moles"); // 3
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vopts.push_back("initial_moles"); // 4
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}
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int errors = parser.get_input_error();
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std::istream::pos_type ptr;
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std::istream::pos_type next_char;
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std::string token;
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int opt_save;
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opt_save = CParser::OPT_ERROR;
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bool phase_name_defined(false);
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bool moles_defined(false);
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int opt;
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for (;;)
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{
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opt = parser.get_option(vopts, next_char);
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//if (opt == CParser::OPT_DEFAULT)
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//{
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// opt = opt_save;
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//}
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switch (opt)
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{
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case CParser::OPT_EOF:
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break;
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case CParser::OPT_KEYWORD:
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break;
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case CParser::OPT_DEFAULT:
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case CParser::OPT_ERROR:
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opt = CParser::OPT_KEYWORD;
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// Allow return to Exchange for more processing
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//parser.error_msg("Unknown input in EXCH_COMP read.", PHRQ_io::OT_CONTINUE);
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//parser.error_msg(parser.line().c_str(), PHRQ_io::OT_CONTINUE);
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break;
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case 0: // phase_name
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if (!(parser.get_iss() >> str))
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{
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this->phase_name.clear();
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parser.incr_input_error();
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parser.error_msg("Expected string value for phase_name.",
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PHRQ_io::OT_CONTINUE);
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}
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else
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{
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this->phase_name = str;
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}
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phase_name_defined = true;
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break;
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case 1: // name
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if (!(parser.get_iss() >> str))
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{
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this->phase_name.clear();
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parser.incr_input_error();
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parser.error_msg("Expected string value for name.",
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PHRQ_io::OT_CONTINUE);
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}
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else
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{
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this->phase_name = str;
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}
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break;
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case 2: // p_read
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if (!(parser.get_iss() >> this->p_read))
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{
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this->p_read = 0;
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parser.incr_input_error();
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parser.error_msg("Expected numeric value for initial partial pressure.",
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PHRQ_io::OT_CONTINUE);
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}
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break;
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case 3: // moles
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if (!(parser.get_iss() >> this->moles))
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{
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this->moles = 0;
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parser.incr_input_error();
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parser.error_msg("Expected numeric value for moles.",
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PHRQ_io::OT_CONTINUE);
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}
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moles_defined = true;
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break;
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case 4: // initial_moles
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if (!(parser.get_iss() >> this->initial_moles))
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{
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this->initial_moles = 0;
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parser.incr_input_error();
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parser.error_msg("Expected numeric value for initial_moles.",
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PHRQ_io::OT_CONTINUE);
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}
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break;
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}
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if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD)
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break;
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}
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if (check)
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{
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// members that must be defined
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if (phase_name_defined == false)
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{
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parser.incr_input_error();
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parser.error_msg("Phase_name not defined for GasComp input.",
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PHRQ_io::OT_CONTINUE);
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}
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if (moles_defined == false)
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{
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parser.incr_input_error();
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parser.error_msg("Moles not defined for GasComp input.",
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PHRQ_io::OT_CONTINUE);
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}
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}
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return (parser.get_input_error() == errors);
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}
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void
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cxxGasComp::add(const cxxGasComp & addee, LDBLE extensive)
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{
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LDBLE ext1, ext2, f1, f2;
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if (extensive == 0.0)
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return;
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if (addee.phase_name.size() == 0)
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return;
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ext1 = this->moles;
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ext2 = addee.moles * extensive;
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if (ext1 + ext2 != 0)
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{
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f1 = ext1 / (ext1 + ext2);
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f2 = ext2 / (ext1 + ext2);
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}
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else
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{
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f1 = 0.5;
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f2 = 0.5;
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}
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assert(this->phase_name == addee.phase_name);
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//double moles;
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this->p_read += addee.p_read * extensive;
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this->moles += addee.moles * extensive;
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this->initial_moles += addee.initial_moles * extensive;
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}
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void
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cxxGasComp::multiply(LDBLE extensive)
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{
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this->p_read *= extensive;
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this->moles *= extensive;
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this->initial_moles *= extensive;
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}
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48
GasComp.h
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48
GasComp.h
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@ -0,0 +1,48 @@
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#if !defined(GASCOMP_H_INCLUDED)
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#define GASCOMP_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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class cxxGasComp: public PHRQ_base
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{
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public:
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cxxGasComp(PHRQ_io *io=NULL);
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~cxxGasComp();
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void dump_raw(std::ostream & s_oss, unsigned int indent) const;
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bool read_raw(CParser & parser, bool check=true);
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std::string Get_phase_name(void) const {return this->phase_name;}
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void Set_phase_name(std::string s) {this->phase_name = s;}
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LDBLE Get_p_read() const {return this->p_read;}
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void Set_p_read(LDBLE t) {this->p_read = 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_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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void add(const cxxGasComp & addee, LDBLE extensive);
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void cxxGasComp::multiply(LDBLE 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 phase_name;
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LDBLE p_read;
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LDBLE moles;
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LDBLE initial_moles;
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};
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#endif // !defined(GASCOMP_H_INCLUDED)
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