diff --git a/Cantera/src/ThermoPhase.h b/Cantera/src/ThermoPhase.h index 46751be79..f7dd10cf7 100755 --- a/Cantera/src/ThermoPhase.h +++ b/Cantera/src/ThermoPhase.h @@ -182,6 +182,8 @@ namespace Cantera { /** * Pressure. Units: Pa. + * Returns the thermodynamic pressure -> must be reimplemented + * in inherited classes. */ virtual doublereal pressure() const { return err("pressure"); @@ -190,6 +192,8 @@ namespace Cantera { /** * Set the pressure. Units: Pa. + * Sets the thermodynamic pressure -> must be reimplemented + * in inherited classes. */ virtual void setPressure(doublereal p) { err("setPressure"); @@ -203,11 +207,14 @@ namespace Cantera { * presence of external gravitation or electric fields. These * methods allow specifying a potential energy for individual * species. + * @{ */ /** * Set the potential energy of species k to pe. * Units: J/kmol. + * This function must be reimplemented in inherited classes + * of ThermoPhase. */ virtual void setPotentialEnergy(int k, doublereal pe) { err("setPotentialEnergy"); @@ -216,6 +223,8 @@ namespace Cantera { /** * Get the potential energy of species k. * Units: J/kmol. + * This function must be reimplemented in inherited classes + * of ThermoPhase. */ virtual doublereal potentialEnergy(int k) const { return err("potentialEnergy"); @@ -232,11 +241,12 @@ namespace Cantera { * @} * @name Chemical Potentials and Activities * - * The activity \f$ a_k \f$ of a species in solution is + * The activity \f$a_k\f$ of a species in solution is * related to the chemical potential by \f[ \mu_k = \mu_k^0(T) * + \hat R T \log a_k. \f] The quantity \f$\mu_k^0(T)\f$ is * the chemical potential at unit activity, which depends only - * on temperature. @{ + * on temperature. + * @{ */ /** @@ -246,6 +256,10 @@ namespace Cantera { * defined below. These generalized concentrations are used * by kinetics manager classes to compute the forward and * reverse rates of elementary reactions. + * + * @param c Array of generalized concentrations. The + * units depend upon the implementation of the + * reaction rate expressions within the phase. */ virtual void getActivityConcentrations(doublereal* c) const { err("getActivityConcentrations"); @@ -326,7 +340,7 @@ namespace Cantera { //@} /** - * Get the nondimensional Gibbs functions for the pure species + * Get the nondimensional Enthalpy functions for the pure species * at the current T and P. */ virtual void getEnthalpy_RT(doublereal* hrt) const { @@ -335,7 +349,7 @@ namespace Cantera { /** - * Get the nondimensional Gibbs functions for the pure species + * Get the nondimensional Entropies for the pure species * at the current T and P. */ virtual void getEntropy_R(doublereal* sr) const { @@ -448,7 +462,13 @@ namespace Cantera { compositionMap xx; int kk = nSpecies(); for (int k = 0; k < kk; k++) xx[speciesName(k)] = -1.0; - parseCompString(x, xx); + try { + parseCompString(x, xx); + } + catch (CanteraError) { + throw CanteraError("setState_TPX", + "Unknown species in composition map: "+ x); + } setMoleFractionsByName(xx); setTemperature(t); setPressure(p); } @@ -554,7 +574,10 @@ namespace Cantera { */ SpeciesThermo& speciesThermo() { return *m_spthermo; } - + /** + * Returns the reference pressure in Pa. This function is a wrapper + * that calls the species thermo refPressure function. + */ doublereal refPressure() const { return m_spthermo->refPressure(); }