diff --git a/Cantera/src/thermo/DebyeHuckel.cpp b/Cantera/src/thermo/DebyeHuckel.cpp index 91546cf6d..d3dca91f5 100644 --- a/Cantera/src/thermo/DebyeHuckel.cpp +++ b/Cantera/src/thermo/DebyeHuckel.cpp @@ -915,11 +915,9 @@ namespace Cantera { delete fxml; } - /** - * interp_est() (static) - * - * utility function to assign an integer value from a string - * for the ElectrolyteSpeciesType field. + //! Utility function to assign an integer value from a string for the ElectrolyteSpeciesType field. + /*! + * @param estString input string that will be interpreted */ static int interp_est(std::string estString) { const char *cc = estString.c_str(); diff --git a/Cantera/src/thermo/SpeciesThermoFactory.cpp b/Cantera/src/thermo/SpeciesThermoFactory.cpp index ce0d21007..0d404873e 100644 --- a/Cantera/src/thermo/SpeciesThermoFactory.cpp +++ b/Cantera/src/thermo/SpeciesThermoFactory.cpp @@ -53,15 +53,18 @@ namespace Cantera { boost::mutex SpeciesThermoFactory::species_thermo_mutex ; #endif - //! Examine the types of species thermo parameterizations, //! and return a flag indicating the type of reference state thermo manager //! that will be needed in order to evaluate them all. /*! * - * @param spDataNodeList, This vector contains a list - * of species XML nodes that will be in the phase + * @param spDataNodeList This vector contains a list + * of species XML nodes that will be in the phase + * @param has_nasa Return int that indicates whether the phase has a NASA polynomial form for one of its species + * @param has_shomate Return int that indicates whether the phase has a SHOMATE polynomial form for one of its species + * @param has_simple Return int that indicates whether the phase has a SIMPLE polynomial form for one of its species + * @param has_other Return int that indicates whether the phase has a form for one of its species that is not one of the ones listed above. * * @todo Make sure that spDadta_node is species Data XML node by checking its name is speciesData */ @@ -294,11 +297,15 @@ namespace Cantera { } - /** - * Install a NASA polynomial thermodynamic property - * parameterization for species k into a SpeciesThermo instance. - * This is called by method installThermoForSpecies if a NASA - * block is found in the XML input. + //! Install a NASA polynomial thermodynamic property parameterization for species k into a SpeciesThermo instance. + /*! + * This is called by method installThermoForSpecies if a NASA block is found in the XML input. + * + * @param speciesName String name of the species + * @param sp SpeciesThermo object that will receive the nasa polynomial object + * @param k Species index within the phase + * @param f0ptr Ptr to the first XML_Node for the first NASA polynomial + * @param f1ptr Ptr to the first XML_Node for the first NASA polynomial */ static void installNasaThermoFromXML(std::string speciesName, SpeciesThermo& sp, int k, @@ -377,12 +384,17 @@ namespace Cantera { #ifdef INCL_NASA96 - /** - * Install a NASA96 polynomial thermodynamic property - * parameterization for species k into a SpeciesThermo instance. + //! Install a NASA96 polynomial thermodynamic property parameterization for species k into a SpeciesThermo instance. + /*! + * This is called by method installThermoForSpecies if a NASA block is found in the XML input. + * + * @param speciesName String name of the species + * @param sp SpeciesThermo object that will receive the nasa polynomial object + * @param k Species index within the phase + * @param f0ptr Ptr to the first XML_Node for the first NASA polynomial + * @param f1ptr Ptr to the first XML_Node for the first NASA polynomial */ - static void installNasa96ThermoFromXML(std::string speciesName, - SpeciesThermo& sp, int k, + static void installNasa96ThermoFromXML(std::string speciesName, SpeciesThermo& sp, int k, const XML_Node* f0ptr, const XML_Node* f1ptr) { doublereal tmin0, tmax0, tmin1, tmax1, tmin, tmid, tmax; @@ -570,13 +582,17 @@ namespace Cantera { sp.install(speciesName, k, SHOMATE, &coef[0], tmin0, tmax0, p0); } - - /** - * Install a Shomate polynomial thermodynamic property - * parameterization for species k. + //! Install a Shomate polynomial thermodynamic property parameterization for species k into a SpeciesThermo instance. + /*! + * This is called by method installThermoForSpecies if a Shomate block is found in the XML input. + * + * @param speciesName String name of the species + * @param sp SpeciesThermo object that will receive the nasa polynomial object + * @param k Species index within the phase + * @param f0ptr Ptr to the first XML_Node for the first NASA polynomial + * @param f1ptr Ptr to the first XML_Node for the first NASA polynomial */ - static void installShomateThermoFromXML(std::string speciesName, - SpeciesThermo& sp, int k, + static void installShomateThermoFromXML(std::string speciesName, SpeciesThermo& sp, int k, const XML_Node* f0ptr, const XML_Node* f1ptr) { doublereal tmin0, tmax0, tmin1, tmax1, tmin, tmid, tmax; @@ -624,11 +640,14 @@ namespace Cantera { sp.install(speciesName, k, SHOMATE, &c[0], tmin, tmax, p0); } - - - /** - * Install a constant-cp thermodynamic property - * parameterization for species k. + //! Install a Simple thermodynamic property parameterization for species k into a SpeciesThermo instance. + /*! + * This is called by method installThermoForSpecies if a SimpleThermo block is found + * + * @param speciesName String name of the species + * @param sp SpeciesThermo object that will receive the nasa polynomial object + * @param k Species index within the phase + * @param f XML_Node for the SimpleThermo block */ static void installSimpleThermoFromXML(std::string speciesName, SpeciesThermo& sp, int k, @@ -647,11 +666,15 @@ namespace Cantera { sp.install(speciesName, k, SIMPLE, &c[0], tmin, tmax, p0); } - /** - * Install a NASA9 polynomial thermodynamic property - * parameterization for species k into a SpeciesThermo instance. - * This is called by method installThermoForSpecies if a NASA9 - * block is found in the XML input. + + //! Install a NASA9 polynomial thermodynamic property parameterization for species k into a SpeciesThermo instance. + /*! + * This is called by method installThermoForSpecies if a NASA9 block is found in the XML input. + * + * @param speciesName String name of the species + * @param sp SpeciesThermo object that will receive the nasa polynomial object + * @param k Species index within the phase + * @param tp Vector of XML Nodes that make up the parameterization */ static void installNasa9ThermoFromXML(std::string speciesName, SpeciesThermo& sp, int k, @@ -705,13 +728,16 @@ namespace Cantera { } - /** - * Install an Adsorbate thermodynamic property - * parameterization for species k into a SpeciesThermo instance. - * This is called by method installThermoForSpecies if a NASA9 - * block is found in the XML input. - */ #ifdef WITH_ADSORBATE + //! Install a Adsorbate polynomial thermodynamic property parameterization for species k into a SpeciesThermo instance. + /*! + * This is called by method installThermoForSpecies if a Adsorbate block is found in the XML input. + * + * @param speciesName String name of the species + * @param sp SpeciesThermo object that will receive the nasa polynomial object + * @param k Species index within the phase + * @param tp Vector of XML Nodes that make up the parameterization + */ static void installAdsorbateThermoFromXML(std::string speciesName, SpeciesThermo& sp, int k, const XML_Node& f) { @@ -739,8 +765,6 @@ namespace Cantera { coeffs[0] = nfreq; coeffs[1] = getFloat(f, "binding_energy", "toSI"); copy(freqs.begin(), freqs.end(), coeffs.begin() + 2); - //posc = new Adsorbate(k, tmin, tmax, pref, - // DATA_PTR(coeffs)); (&sp)->install(speciesName, k, ADSORBATE, &coeffs[0], tmin, tmax, pref); } #endif diff --git a/Cantera/src/thermo/ThermoFactory.cpp b/Cantera/src/thermo/ThermoFactory.cpp index 11741b193..9fe8a1456 100644 --- a/Cantera/src/thermo/ThermoFactory.cpp +++ b/Cantera/src/thermo/ThermoFactory.cpp @@ -87,8 +87,13 @@ namespace Cantera { #if defined(THREAD_SAFE_CANTERA) boost::mutex ThermoFactory::thermo_mutex; #endif - + //! Define the number of %ThermoPhase types for use in this factory routine + /*! + * @deprecated This entire structure could be replaced with a std::map + */ static int ntypes = 18; + + //! Define the string name of the %ThermoPhase types that are handled by this factory routine static string _types[] = {"IdealGas", "Incompressible", "Surface", "Edge", "Metal", "StoichSubstance", "PureFluid", "LatticeSolid", "Lattice", @@ -98,6 +103,7 @@ namespace Cantera { "IonsFromNeutralMolecule" }; + //! Define the integer id of the %ThermoPhase types that are handled by this factory routine static int _itypes[] = {cIdealGas, cIncompressible, cSurf, cEdge, cMetal, cStoichSubstance, cPureFluid, cLatticeSolid, cLattice, diff --git a/Cantera/src/thermo/VPSSMgrFactory.cpp b/Cantera/src/thermo/VPSSMgrFactory.cpp index 6e3962fb6..8b7e4e390 100644 --- a/Cantera/src/thermo/VPSSMgrFactory.cpp +++ b/Cantera/src/thermo/VPSSMgrFactory.cpp @@ -60,13 +60,23 @@ namespace Cantera { boost::mutex VPSSMgrFactory::vpss_species_thermo_mutex; #endif - /* - * Examine the types of species thermo parameterizations, - * and return a flag indicating the type of parameterization - * needed by the species. + + //! Examine the types of species thermo parameterizations, and return a flag indicating the type of parameterization + //! needed by the species. + /*! * - * @param spData_node Species Data XML node. This node contains a list - * of species XML nodes underneath it. + * @param spDataNodeList Species Data XML node. This node contains a list + * of species XML nodes underneath it. + * @param has_nasa_idealGas Boolean indicating that one species has a nasa ideal gas standard state + * @param has_nasa_constVol Boolean indicating that one species has a nasa ideal solution standard state + * @param has_shomate_idealGas Boolean indicating that one species has a shomate ideal gas standard state + * @param has_shomate_constVol Boolean indicating that one species has a shomate ideal solution standard state + * @param has_simple_idealGas Boolean indicating that one species has a simple ideal gas standard state + * @param has_simple_constVol Boolean indicating that one species has a simple ideal solution standard state + * @param has_water Boolean indicating that one species has a water standard state + * @param has_tpx Boolean indicating that one species has a tpx standard state + * @param has_htpx Boolean indicating that one species has a htpx standard state + * @param has_other Boolean indicating that one species has different standard state than the ones listed above * * @todo Make sure that spDadta_node is species Data XML node by checking * its name is speciesData