// SurfCharge.cxx: implementation of the cxxSurfCharge class. // ////////////////////////////////////////////////////////////////////// #ifdef _DEBUG #pragma warning(disable : 4786) // disable truncation warning (Only used by debugger) #endif #include "Utils.h" // define first #include "SurfCharge.h" #define EXTERNAL extern #include "global.h" #include "output.h" #include "phqalloc.h" #include "phrqproto.h" #include // assert #include // std::sort ////////////////////////////////////////////////////////////////////// // Construction/Destruction ////////////////////////////////////////////////////////////////////// cxxSurfCharge::cxxSurfCharge() // // default constructor for cxxSurfCharge // { name = NULL; specific_area = 0.0; grams = 0.0; charge_balance = 0.0; mass_water = 0.0; la_psi = 0.0; diffuse_layer_totals.type = cxxNameDouble::ND_ELT_MOLES; } cxxSurfCharge::cxxSurfCharge(struct surface_charge *surf_charge_ptr) // // constructor for cxxSurfCharge from struct surface_charge // : diffuse_layer_totals(surf_charge_ptr->diffuse_layer_totals) { name = surf_charge_ptr->name; specific_area = surf_charge_ptr->specific_area; grams = surf_charge_ptr->grams; charge_balance = surf_charge_ptr->charge_balance; mass_water = surf_charge_ptr->mass_water; la_psi = surf_charge_ptr->la_psi; } cxxSurfCharge::~cxxSurfCharge() { } struct master *cxxSurfCharge::get_psi_master() { struct master *master_ptr = NULL; std::string str = this->name; str.append("_psi"); master_ptr = master_bsearch(str.c_str()); if (master_ptr == NULL) { std::ostringstream error_oss; error_oss << "Surface charge psi_master not found." << this->name << std::endl; //Utilities::error_msg(error_oss.str(), CONTINUE); error_msg(error_oss.str().c_str(), CONTINUE); } return(master_ptr); } struct surface_charge *cxxSurfCharge::cxxSurfCharge2surface_charge(std::list& el) // // Builds surface_charge structure from of cxxSurfCharge // { struct surface_charge *surf_charge_ptr = (struct surface_charge *) PHRQ_malloc((size_t) (el.size() * sizeof(struct surface_charge))); if (surf_charge_ptr == NULL) malloc_error(); int i = 0; for (std::list::iterator it = el.begin(); it != el.end(); ++it) { surf_charge_ptr[i].name = it->name; surf_charge_ptr[i].specific_area = it->specific_area; surf_charge_ptr[i].grams = it->grams; surf_charge_ptr[i].charge_balance = it->charge_balance; surf_charge_ptr[i].mass_water = it->mass_water; surf_charge_ptr[i].la_psi = it->la_psi; surf_charge_ptr[i].diffuse_layer_totals = it->diffuse_layer_totals.elt_list(); surf_charge_ptr[i].psi_master = it->get_psi_master(); surf_charge_ptr[i].count_g = 0; surf_charge_ptr[i].g = NULL; i++; } return(surf_charge_ptr); } void cxxSurfCharge::dump_xml(std::ostream& s_oss, unsigned int indent)const { //const char ERR_MESSAGE[] = "Packing surf_charge 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); // Surf_Charge element and attributes s_oss << indent0 << "name=\"" << this->name << "\"" << std::endl; s_oss << indent0 << "specific_area=\"" << this->specific_area << "\"" << std::endl; s_oss << indent0 << "grams=\"" << this->grams << "\"" << std::endl; s_oss << indent0 << "charge_balance=\"" << this->charge_balance << "\"" << std::endl; s_oss << indent0 << "mass_water=\"" << this->mass_water << "\"" << std::endl; s_oss << indent0 << "la_psi=\"" << this->la_psi << "\"" << std::endl; // totals s_oss << indent0; s_oss << "diffuse_layer_totals.dump_xml(s_oss, indent + 1); } void cxxSurfCharge::dump_raw(std::ostream& s_oss, unsigned int indent)const { //const char ERR_MESSAGE[] = "Packing surf_charge 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); // Surf_Charge element and attributes s_oss << indent0 << "-name " << this->name << std::endl; s_oss << indent0 << "-specific_area " << this->specific_area << std::endl; s_oss << indent0 << "-grams " << this->grams << std::endl; s_oss << indent0 << "-charge_balance " << this->charge_balance << std::endl; s_oss << indent0 << "-mass_water " << this->mass_water << std::endl; s_oss << indent0 << "-la_psi " << this->la_psi << std::endl; // totals s_oss << indent0; s_oss << "-diffuse_layer_totals" << std::endl; this->diffuse_layer_totals.dump_raw(s_oss, indent + 1); } void cxxSurfCharge::read_raw(CParser& parser) { std::string str; static std::vector vopts; if (vopts.empty()) { vopts.reserve(10); vopts.push_back("name"); // 0 vopts.push_back("specific_area"); // 1 vopts.push_back("grams"); // 2 vopts.push_back("charge_balance"); // 3 vopts.push_back("mass_water"); // 4 vopts.push_back("la_psi"); // 5 vopts.push_back("diffuse_layer_totals"); // 6 } std::istream::pos_type ptr; std::istream::pos_type next_char; std::string token; int opt_save; opt_save = CParser::OPT_ERROR; bool name_defined(false); bool specific_area_defined(false); bool grams_defined(false); bool charge_balance_defined(false); bool mass_water_defined(false); bool la_psi_defined(false); for (;;) { int opt = parser.get_option(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_KEYWORD; // Allow return to Surface for more processing //parser.error_msg("Unknown input in SURF_CHARGE read.", CParser::OT_CONTINUE); //parser.error_msg(parser.line().c_str(), CParser::OT_CONTINUE); break; case 0: // name if (!(parser.get_iss() >> str)) { this->name = NULL; parser.incr_input_error(); parser.error_msg("Expected string value for name.", CParser::OT_CONTINUE); } else { this->name = string_hsave(str.c_str()); } name_defined = true; break; case 1: // specific_area if (!(parser.get_iss() >> this->specific_area)) { this->specific_area = 0; parser.incr_input_error(); parser.error_msg("Expected numeric value for specific_area.", CParser::OT_CONTINUE); } specific_area_defined = true; break; case 2: // grams if (!(parser.get_iss() >> this->grams)) { this->grams = 0; parser.incr_input_error(); parser.error_msg("Expected numeric value for grams.", CParser::OT_CONTINUE); } grams_defined = true; break; case 3: // charge_balance if (!(parser.get_iss() >> this->charge_balance)) { this->charge_balance = 0; parser.incr_input_error(); parser.error_msg("Expected numeric value for charge_balance.", CParser::OT_CONTINUE); } charge_balance_defined = true; break; case 4: // mass_water if (!(parser.get_iss() >> this->mass_water)) { this->mass_water = 0; parser.incr_input_error(); parser.error_msg("Expected numeric value for mass_water.", CParser::OT_CONTINUE); } mass_water_defined = true; break; case 5: // la_psi if (!(parser.get_iss() >> this->la_psi)) { this->la_psi = 0; parser.incr_input_error(); parser.error_msg("Expected numeric value for la_psi.", CParser::OT_CONTINUE); } la_psi_defined = true; break; case 6: // diffuse_layer_totals if ( this->diffuse_layer_totals.read_raw(parser, next_char) != CParser::PARSER_OK) { parser.incr_input_error(); parser.error_msg("Expected element name and molality for SurfCharge diffuse_layer_totals.", CParser::OT_CONTINUE); } opt_save = 6; break; } if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD) break; } // members that must be defined if (name_defined == false) { parser.incr_input_error(); parser.error_msg("Name not defined for SurfCharge input.", CParser::OT_CONTINUE); } if (specific_area_defined == false) { parser.incr_input_error(); parser.error_msg("Specific_area not defined for SurfCharge input.", CParser::OT_CONTINUE); } if (grams_defined == false) { parser.incr_input_error(); parser.error_msg("Grams not defined for SurfCharge input.", CParser::OT_CONTINUE); } if (charge_balance_defined == false) { parser.incr_input_error(); parser.error_msg("Charge_balance not defined for SurfCharge input.", CParser::OT_CONTINUE); } if (mass_water_defined == false) { parser.incr_input_error(); parser.error_msg("Mass_water not defined for SurfCharge input.", CParser::OT_CONTINUE); } if (la_psi_defined == false) { parser.incr_input_error(); parser.error_msg("La_psi not defined for SurfCharge input.", CParser::OT_CONTINUE); } }