// 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 // assert #include // 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])); std::string str(ssSS.get_name()); ssAssemblageSSs[str] = ssSS; } } cxxSSassemblage::cxxSSassemblage(const std::map < int, cxxSSassemblage > &entities, cxxMix & mix, int n_user): cxxNumKeyword() { this->n_user = this->n_user_end = n_user; //std::list ssAssemblageSSs; // // Mix // std::map < int, double >*mixcomps = mix.comps(); std::map < int, double >::const_iterator it; for (it = mixcomps->begin(); it != mixcomps->end(); it++) { if (entities.find(it->first) != entities.end()) { const cxxSSassemblage *entity_ptr = &(entities.find(it->first)->second); this->add(*entity_ptr, it->second); } } } 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 = (int) 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 { //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 << "eltList.dump_xml(s_oss, indent + 1); // ssAssemblageSSs s_oss << indent1; s_oss << "::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::map < std::string, cxxSSassemblageSS >::const_iterator it = ssAssemblageSSs.begin(); it != ssAssemblageSSs.end(); ++it) { s_oss << indent1; s_oss << "-solid_solution" << std::endl; (*it).second.dump_raw(s_oss, indent + 2); } } void cxxSSassemblage::read_raw(CParser & parser, bool check) { 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 ec; // preliminary read #ifdef SKIP std::istream::pos_type pos = parser.tellg(); CParser::ECHO_OPTION eo = parser.get_echo_file(); parser.set_echo_file(CParser::EO_NONE); CParser::ECHO_OPTION eo_s = parser.get_echo_stream(); parser.set_echo_stream(CParser::EO_NONE); ec.read_raw(parser, false); parser.set_echo_file(eo); parser.set_echo_stream(eo_s); parser.seekg(pos).clear(); parser.seekg(pos); if (this->ssAssemblageSSs.find(ec.get_name()) != this->ssAssemblageSSs.end()) { cxxSSassemblageSS & ec1 = this->ssAssemblageSSs.find(ec.get_name())->second; ec1.read_raw(parser, false); } else { cxxSSassemblageSS ec1; ec1.read_raw(parser, false); std::string str(ec1.get_name()); this->ssAssemblageSSs[str] = ec1; } #endif parser.set_accumulate(true); ec.read_raw(parser, false); parser.set_accumulate(false); std::istringstream is(parser.get_accumulated()); CParser reread(is); reread.set_echo_file(CParser::EO_NONE); reread.set_echo_stream(CParser::EO_NONE); if (this->ssAssemblageSSs.find(ec.get_name()) != this->ssAssemblageSSs.end()) { cxxSSassemblageSS & ec1 = this->ssAssemblageSSs.find(ec.get_name())->second; ec1.read_raw(reread, false); } else { cxxSSassemblageSS ec1; ec1.read_raw(reread, false); std::string str(ec1.get_name()); this->ssAssemblageSSs[str] = ec1; } } useLastLine = true; break; } if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD) break; } } #ifdef USE_MPI /* ---------------------------------------------------------------------- */ void cxxSSassemblage::mpi_pack(std::vector < int >&ints, std::vector < double >&doubles) /* ---------------------------------------------------------------------- */ { /* int n_user; */ ints.push_back(this->n_user); ints.push_back((int) this->ssAssemblageSSs.size()); for (std::map < std::string, cxxSSassemblageSS >::iterator it = this->ssAssemblageSSs.begin(); it != this->ssAssemblageSSs.end(); it++) { (*it).second.mpi_pack(ints, doubles); } } /* ---------------------------------------------------------------------- */ void cxxSSassemblage::mpi_unpack(int *ints, int *ii, double *doubles, int *dd) /* ---------------------------------------------------------------------- */ { int i = *ii; int d = *dd; /* int n_user; */ this->n_user = ints[i++]; this->n_user_end = this->n_user; this->description = " "; int count = ints[i++]; this->ssAssemblageSSs.clear(); for (int n = 0; n < count; n++) { cxxSSassemblageSS ssc; ssc.mpi_unpack(ints, &i, doubles, &d); std::string str(ssc.get_name()); this->ssAssemblageSSs[str] = ssc; } *ii = i; *dd = d; } #endif void cxxSSassemblage::totalize() { this->totals.clear(); // component structures for (std::map < std::string, cxxSSassemblageSS >::iterator it = ssAssemblageSSs.begin(); it != ssAssemblageSSs.end(); ++it) { (*it).second.totalize(); this->totals.add_extensive((*it).second.get_totals(), 1.0); } return; } #ifdef SKIP void cxxSSassemblage::add(const cxxSSassemblage & addee, double extensive) // // Add to existing ssassemblage to "this" ssassemblage // { if (extensive == 0.0) return; for (std::list < cxxSSassemblageSS >::const_iterator itadd = addee.ssAssemblageSSs.begin(); itadd != addee.ssAssemblageSSs.end(); ++itadd) { bool found = false; for (std::list < cxxSSassemblageSS >::iterator it = this->ssAssemblageSSs.begin(); it != this->ssAssemblageSSs.end(); ++it) { if (it->get_name() == itadd->get_name()) { it->add((*itadd), extensive); found = true; break; } } if (!found) { cxxSSassemblageSS entity = *itadd; entity.multiply(extensive); this->ssAssemblageSSs.push_back(entity); } } } #endif void cxxSSassemblage::add(const cxxSSassemblage & addee, double extensive) // // Add to existing ssassemblage to "this" ssassemblage // { if (extensive == 0.0) return; for (std::map < std::string, cxxSSassemblageSS >::const_iterator itadd = addee.ssAssemblageSSs.begin(); itadd != addee.ssAssemblageSSs.end(); ++itadd) { std::map < std::string, cxxSSassemblageSS >::iterator it = this->ssAssemblageSSs.find((*itadd).first); if (it != this->ssAssemblageSSs.end()) { (*it).second.add((*itadd).second, extensive); } else { cxxSSassemblageSS entity = (*itadd).second; entity.multiply(extensive); std::string str(entity.get_name()); this->ssAssemblageSSs[str] = entity; } } }