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refactor(solution): consolidate cxxSolution constructors
This commit is contained in:
Max Lübke
parent
6f356bb9b6
commit
7806aad339
@ -2,8 +2,8 @@
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//
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//////////////////////////////////////////////////////////////////////
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#ifdef _DEBUG
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#pragma warning( \
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disable : 4786) // disable truncation warning (Only used by debugger)
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#pragma warning(disable \
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: 4786) // disable truncation warning (Only used by debugger)
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#endif
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#include "Solution.h"
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@ -27,7 +27,6 @@ static char THIS_FILE[] = __FILE__;
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//////////////////////////////////////////////////////////////////////
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// Construction/Destruction
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//////////////////////////////////////////////////////////////////////
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cxxSolution::cxxSolution(PHRQ_io *io)
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//
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// default constructor for cxxSolution
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@ -123,154 +122,41 @@ cxxSolution::cxxSolution(std::map<int, cxxSolution> &solutions, cxxMix &mix,
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this->potV = cxxsoln_ptr1->potV;
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}
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//
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// Mix solutions
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//
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const std::map<int, LDBLE> &mixcomps = mix.Get_mixComps();
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std::map<int, LDBLE>::const_iterator it;
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for (it = mixcomps.begin(); it != mixcomps.end(); it++) {
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sol = solutions.find(it->first);
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if (sol == solutions.end()) {
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std::ostringstream msg;
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msg << "Solution " << it->first << " not found in mix_cxxSolutions.";
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error_msg(msg.str(), CONTINUE);
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} else {
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cxxsoln_ptr1 = &(sol->second);
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this->add(*cxxsoln_ptr1, it->second);
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}
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}
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}
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cxxSolution::~cxxSolution() { delete this->initial_data; }
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cxxSolution::cxxSolution(PHRQ_io * io)
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//
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// default constructor for cxxSolution
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//
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: cxxNumKeyword(io)
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{
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this->io = io;
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this->new_def = false;
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this->patm = 1.0;
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this->potV = 0.0;
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this->tc = 25.0;
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this->ph = 7.0;
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this->pe = 4.0;
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this->mu = 1e-7;
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this->ah2o = 1.0;
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this->total_h = 111.1;
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this->total_o = 55.55;
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this->cb = 0.0;
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this->density = 1.0;
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this->viscosity = 1.0;
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this->viscos_0 = 1.0;
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this->mass_water = 1.0;
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this->soln_vol = 1.0;
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this->total_alkalinity = 0.0;
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this->totals.type = cxxNameDouble::ND_ELT_MOLES;
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this->master_activity.type = cxxNameDouble::ND_SPECIES_LA;
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this->species_gamma.type = cxxNameDouble::ND_SPECIES_GAMMA;
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this->initial_data = NULL;
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}
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cxxSolution::cxxSolution(const cxxSolution &old_sol)
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: initial_data(NULL)
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{
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*this = old_sol;
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}
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const cxxSolution &
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cxxSolution::operator =(const cxxSolution &rhs)
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{
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if (this != &rhs)
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{
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this->io = rhs.io;
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this->n_user = rhs.n_user;
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this->n_user_end = rhs.n_user_end;
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this->description = rhs.description;
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this->new_def = rhs.new_def;
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this->patm = rhs.patm;
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this->potV = rhs.potV;
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this->tc = rhs.tc;
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this->ph = rhs.ph;
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this->pe = rhs.pe;
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this->mu = rhs.mu;
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this->ah2o = rhs.ah2o;
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this->total_h = rhs.total_h;
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this->total_o = rhs.total_o;
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this->density = rhs.density;
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this->viscosity = rhs.viscosity;
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this->viscos_0 = rhs.viscos_0;
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this->cb = rhs.cb;
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this->mass_water = rhs.mass_water;
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this->soln_vol = rhs.soln_vol;
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this->total_alkalinity = rhs.total_alkalinity;
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this->totals = rhs.totals;
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this->master_activity = rhs.master_activity;
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this->species_gamma = rhs.species_gamma;
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this->isotopes = rhs.isotopes;
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this->species_map = rhs.species_map;
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this->log_gamma_map = rhs.log_gamma_map;
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this->log_molalities_map = rhs.log_molalities_map;
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if (this->initial_data)
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delete initial_data;
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if (rhs.initial_data != NULL)
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this->initial_data = new cxxISolution(*rhs.initial_data);
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else
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this->initial_data = NULL;
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}
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return *this;
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}
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cxxSolution::cxxSolution(std::map < int, cxxSolution > &solutions,
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cxxMix & mix, int l_n_user, PHRQ_io * io)
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//
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// constructor for cxxSolution from mixture of solutions
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//
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: cxxNumKeyword(io)
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{
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//
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// Zero out solution data
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//
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this->zero();
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this->n_user = this->n_user_end = l_n_user;
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this->new_def = false;
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this->ah2o = 0;
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// potV is an external variable, imposed in a given solution, not mixed.
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std::map < int, cxxSolution >::const_iterator sol = solutions.find(mix.Get_n_user());
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const cxxSolution *cxxsoln_ptr1;
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if (sol != solutions.end())
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{
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cxxsoln_ptr1 = &(sol->second);
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if (cxxsoln_ptr1->new_def)
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this->potV = 0.0;
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else
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this->potV = cxxsoln_ptr1->potV;
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}
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//
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// Sort to enable positive mixes first
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const std::map < int, LDBLE >& mixcomps = mix.Get_mixComps();
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std::set<std::pair<LDBLE, int> >s;
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for (std::map < int, LDBLE >::const_iterator it = mixcomps.begin();
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it != mixcomps.end(); it++)
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{
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const std::map<int, LDBLE> &mixcomps = mix.Get_mixComps();
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std::set<std::pair<LDBLE, int>> s;
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for (std::map<int, LDBLE>::const_iterator it = mixcomps.begin();
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it != mixcomps.end(); it++) {
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std::pair<LDBLE, int> p(it->second, it->first);
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s.insert(p);
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}
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//
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// Mix solutions
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//
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std::set < std::pair< LDBLE, int > >::const_reverse_iterator rit = s.rbegin();
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for (rit = s.rbegin(); rit != s.rend(); rit++)
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{
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//
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// Mix solutions
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//
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std::set<std::pair<LDBLE, int>>::const_reverse_iterator rit = s.rbegin();
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for (rit = s.rbegin(); rit != s.rend(); rit++) {
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sol = solutions.find(rit->second);
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if (sol == solutions.end())
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{
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if (sol == solutions.end()) {
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std::ostringstream msg;
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msg << "Solution " << rit->second << " not found in mix_cxxSolutions.";
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error_msg(msg.str(), CONTINUE);
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}
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else
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{
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} else {
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cxxsoln_ptr1 = &(sol->second);
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this->add(*cxxsoln_ptr1, rit->first);
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}
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}
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}
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cxxSolution::~cxxSolution() { delete this->initial_data; }
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void cxxSolution::dump_xml(std::ostream &s_oss, unsigned int indent) const {
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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("");
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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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// Solution element and attributes
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s_oss << indent0;
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@ -1183,8 +1069,8 @@ void cxxSolution::read_raw(CParser &parser, bool check) {
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return;
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}
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void cxxSolution::Update(LDBLE h_tot, LDBLE o_tot, LDBLE charge, LDBLE tc, LDBLE patm,
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const cxxNameDouble &const_nd) {
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void cxxSolution::Update(LDBLE h_tot, LDBLE o_tot, LDBLE charge, LDBLE tc,
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LDBLE patm, const cxxNameDouble &const_nd) {
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this->new_def = false;
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this->patm = patm;
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// this->potV = 0.0;
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@ -1380,21 +1266,17 @@ void cxxSolution::add(const cxxSolution &addee, LDBLE extensive)
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LDBLE ext1 = this->mass_water;
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LDBLE ext2 = addee.mass_water * extensive;
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this->mass_water += addee.mass_water * extensive;
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if (this->mass_water <= 0.0)
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{
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if (this->mass_water <= 0.0) {
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std::ostringstream msg;
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msg << "Negative mass of water when mixing solutions.";
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error_msg(msg.str(), STOP);
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}
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LDBLE fconc = 0.0, f1 = 0.0, f2 = 0.0;
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if (extensive > 0.0)
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{
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if (extensive > 0.0) {
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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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} else {
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f1 = 1.0;
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f2 = 0.0;
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}
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@ -1420,40 +1302,33 @@ void cxxSolution::add(const cxxSolution &addee, LDBLE extensive)
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{
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// Add species
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std::map<int, double>::const_iterator it = addee.species_map.begin();
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for ( ; it != addee.species_map.end(); it++)
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{
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if (this->species_map.find(it->first) != this->species_map.end())
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{
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this->species_map[it->first] = this->species_map[it->first] * f1 + it->second * f2;
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}
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else
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{
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for (; it != addee.species_map.end(); it++) {
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if (this->species_map.find(it->first) != this->species_map.end()) {
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this->species_map[it->first] =
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this->species_map[it->first] * f1 + it->second * f2;
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} else {
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this->species_map[it->first] = it->second;
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}
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}
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// Add gammas
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std::map<int, double>::const_iterator git = addee.log_gamma_map.begin();
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for ( ; git != addee.log_gamma_map.end(); git++)
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{
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if (this->log_gamma_map.find(git->first) != this->log_gamma_map.end())
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{
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this->log_gamma_map[git->first] = this->log_gamma_map[git->first] * f1 + git->second * f2;
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}
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else
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{
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for (; git != addee.log_gamma_map.end(); git++) {
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if (this->log_gamma_map.find(git->first) != this->log_gamma_map.end()) {
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this->log_gamma_map[git->first] =
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this->log_gamma_map[git->first] * f1 + git->second * f2;
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} else {
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this->log_gamma_map[git->first] = git->second;
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}
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}
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// Add molalities
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std::map<int, double>::const_iterator mit = addee.log_molalities_map.begin();
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for (; mit != addee.log_molalities_map.end(); mit++)
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{
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if (this->log_molalities_map.find(mit->first) != this->log_molalities_map.end())
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{
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this->log_molalities_map[mit->first] = this->log_molalities_map[mit->first] * f1 + mit->second * f2;
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}
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else
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{
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std::map<int, double>::const_iterator mit =
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addee.log_molalities_map.begin();
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for (; mit != addee.log_molalities_map.end(); mit++) {
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if (this->log_molalities_map.find(mit->first) !=
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this->log_molalities_map.end()) {
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this->log_molalities_map[mit->first] =
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this->log_molalities_map[mit->first] * f1 + mit->second * f2;
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} else {
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this->log_molalities_map[mit->first] = mit->second;
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}
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}
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