diff --git a/include/cantera/thermo/SpeciesThermoInterpType.h b/include/cantera/thermo/SpeciesThermoInterpType.h index 15aa41a04..2112e2a50 100644 --- a/include/cantera/thermo/SpeciesThermoInterpType.h +++ b/include/cantera/thermo/SpeciesThermoInterpType.h @@ -1,8 +1,9 @@ /** * @file SpeciesThermoInterpType.h - * Pure Virtual Base class for individual species reference state - * thermodynamic managers and text for the spthermo module - * (see \ref spthermo and class \link Cantera::SpeciesThermoInterpType SpeciesThermoInterpType \endlink). + * + * Pure Virtual Base class for individual species reference state thermodynamic + * managers and text for the spthermo module (see \ref spthermo and class \link + * Cantera::SpeciesThermoInterpType SpeciesThermoInterpType \endlink). */ // Copyright 2001 California Institute of Technology @@ -157,24 +158,15 @@ class VPSSMgr; class SpeciesThermoInterpType { public: - - //! Constructor SpeciesThermoInterpType(); - //! Constructor SpeciesThermoInterpType(size_t n, doublereal tlow, doublereal thigh, doublereal pref); - //! Constructor - /*! - * @param b Object to be copied - */ SpeciesThermoInterpType(const SpeciesThermoInterpType& b); - //! Destructor - virtual ~SpeciesThermoInterpType(); + virtual ~SpeciesThermoInterpType() {} - //! duplicator virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType() const = 0; @@ -205,13 +197,13 @@ public: //! Update the properties for this species, given a temperature polynomial /*! - * This method is called with a pointer to an array containing the functions of - * temperature needed by this parameterization, and three pointers to arrays where the - * computed property values should be written. This method updates only one value in - * each array. + * This method is called with a pointer to an array containing the functions + * of temperature needed by this parameterization, and three pointers to + * arrays where the computed property values should be written. This method + * updates only one value in each array. * - * The form and length of the Temperature Polynomial may vary depending on the - * parameterization. + * The form and length of the Temperature Polynomial may vary depending on + * the parameterization. * * @param tempPoly vector of temperature polynomials * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). @@ -266,25 +258,31 @@ public: */ virtual void modifyParameters(doublereal* coeffs) {} - //! Report the 298 K Heat of Formation of the standard state of one species (J kmol-1) + //! Report the 298 K Heat of Formation of the standard state of one species + //! (J kmol-1) /*! - * The 298K Heat of Formation is defined as the enthalpy change to create the standard state - * of the species from its constituent elements in their standard states at 298 K and 1 bar. + * The 298K Heat of Formation is defined as the enthalpy change to create + * the standard state of the species from its constituent elements in + * their standard states at 298 K and 1 bar. * - * @param h298 If this is nonnull, the current value of the Heat of Formation at 298K and 1 bar for - * species m_speciesIndex is returned in h298[m_speciesIndex]. - * @return Returns the current value of the Heat of Formation at 298K and 1 bar for - * species m_speciesIndex. + * @param h298 If this is nonnull, the current value of the Heat of + * Formation at 298K and 1 bar for species m_speciesIndex is + * returned in h298[m_speciesIndex]. + * @return Returns the current value of the Heat of Formation at 298K + * and 1 bar for species m_speciesIndex. */ virtual doublereal reportHf298(doublereal* const h298 = 0) const; - //! Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1) + //! Modify the value of the 298 K Heat of Formation of one species in the + //! phase (J kmol-1) /*! - * The 298K heat of formation is defined as the enthalpy change to create the standard state - * of the species from its constituent elements in their standard states at 298 K and 1 bar. + * The 298K heat of formation is defined as the enthalpy change to create + * the standard state of the species from its constituent elements in + * their standard states at 298 K and 1 bar. * * @param k Species k - * @param Hf298New Specify the new value of the Heat of Formation at 298K and 1 bar + * @param Hf298New Specify the new value of the Heat of Formation at + * 298K and 1 bar */ virtual void modifyOneHf298(const size_t k, const doublereal Hf298New); @@ -299,15 +297,15 @@ protected: size_t m_index; }; -//! Class for the thermodynamic manager for an individual species' reference state -//! which uses the PDSS base class to satisfy the requests. +//! Class for the thermodynamic manager for an individual species' reference +//! state which uses the PDSS base class to satisfy the requests. /*! * This class is a pass-through class for handling thermodynamics calls * for reference state thermo to an pressure dependent standard state (PDSS) * class. For some situations, it makes no sense to have a reference state * at all. One example of this is the real water standard state. * - * What this class does is just to pass through the calls for thermo at (T , p0) + * What this class does is just to pass through the calls for thermo at (T, p0) * to the PDSS class, which evaluates the calls at (T, p0). * * @ingroup spthermo @@ -323,10 +321,12 @@ public: * @param speciesIndex species index for this object. Note, this must * agree with what was internally set before. * - * @param vpssmgr_ptr Pointer to the Variable pressure standard state manager - * that owns the PDSS object that will handle calls for this object + * @param vpssmgr_ptr Pointer to the Variable pressure standard state + * manager that owns the PDSS object that will handle calls for this + * object * - * @param PDSS_ptr Pointer to the PDSS object that handles calls for this object + * @param PDSS_ptr Pointer to the PDSS object that handles calls for + * this object */ STITbyPDSS(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr); @@ -341,16 +341,18 @@ public: //! Initialize and/or Reinitialize all the pointers for this object /*! * This routine is needed because the STITbyPDSS object doesn't own the - * underlying objects. Therefore, shallow copies during duplication operations - * may fail. + * underlying objects. Therefore, shallow copies during duplication + * operations may fail. * * @param speciesIndex species index for this object. Note, this must * agree with what was internally set before. * - * @param vpssmgr_ptr Pointer to the Variable pressure standard state manager - * that owns the PDSS object that will handle calls for this object + * @param vpssmgr_ptr Pointer to the Variable pressure standard state + * manager that owns the PDSS object that will handle calls for this + * object * - * @param PDSS_ptr Pointer to the PDSS object that handles calls for this object + * @param PDSS_ptr Pointer to the PDSS object that handles calls for + * this object */ void initAllPtrs(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr); @@ -382,7 +384,7 @@ public: doublereal& refPressure, doublereal* const coeffs) const; - virtual void modifyParameters(doublereal* coeffs); + virtual void modifyParameters(doublereal* coeffs) {} private: //! Pointer to the Variable pressure standard state manager diff --git a/src/thermo/SpeciesThermoInterpType.cpp b/src/thermo/SpeciesThermoInterpType.cpp index ea1a877ba..f8f135d0a 100644 --- a/src/thermo/SpeciesThermoInterpType.cpp +++ b/src/thermo/SpeciesThermoInterpType.cpp @@ -1,6 +1,5 @@ /** * @file SpeciesThermoInterpType.cpp - * Definitions for a */ // Copyright 2007 Sandia National Laboratories @@ -11,7 +10,7 @@ namespace Cantera { -//==================================================================================================== + SpeciesThermoInterpType::SpeciesThermoInterpType() : m_lowT(0.0), m_highT(0.0), @@ -19,16 +18,17 @@ SpeciesThermoInterpType::SpeciesThermoInterpType() : m_index(0) { } -//==================================================================================================== + SpeciesThermoInterpType::SpeciesThermoInterpType(size_t n, doublereal tlow, - doublereal thigh, doublereal pref) : + doublereal thigh, + doublereal pref) : m_lowT(tlow), m_highT(thigh), m_Pref(pref), - m_index(n) + m_index(n) { } -//==================================================================================================== + SpeciesThermoInterpType::SpeciesThermoInterpType(const SpeciesThermoInterpType &b) : m_lowT(b.m_lowT), m_highT(b.m_highT), @@ -36,38 +36,33 @@ SpeciesThermoInterpType::SpeciesThermoInterpType(const SpeciesThermoInterpType & m_index(b.m_index) { } -//==================================================================================================== -SpeciesThermoInterpType::~SpeciesThermoInterpType() -{ -} -//==================================================================================================== + void SpeciesThermoInterpType::updateProperties(const doublereal* tempPoly, - doublereal* cp_R, doublereal* h_RT, - doublereal* s_R) const + doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const { double T = tempPoly[0]; updatePropertiesTemp(T, cp_R, h_RT, s_R); } -//==================================================================================================== + doublereal SpeciesThermoInterpType::reportHf298(doublereal* const h298) const { throw CanteraError("SpeciesThermoInterpType::reportHf298", "Not implemented"); } -//==================================================================================================== -void SpeciesThermoInterpType::modifyOneHf298(const size_t k, const doublereal Hf298New) +void SpeciesThermoInterpType::modifyOneHf298(const size_t k, + const doublereal Hf298New) { throw CanteraError("SpeciesThermoInterpType::modifyOneHf298", "Not implemented"); } -//==================================================================================================== + +//============================================================================= STITbyPDSS::STITbyPDSS() { m_index = npos; } -//==================================================================================================== STITbyPDSS::STITbyPDSS(size_t k, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr) : SpeciesThermoInterpType(), @@ -76,7 +71,6 @@ STITbyPDSS::STITbyPDSS(size_t k, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr) : { m_index = k; } -//==================================================================================================== STITbyPDSS::STITbyPDSS(const STITbyPDSS& b) : SpeciesThermoInterpType(b), @@ -84,46 +78,41 @@ STITbyPDSS::STITbyPDSS(const STITbyPDSS& b) : m_PDSS_ptr(b.m_PDSS_ptr) { } -//==================================================================================================== SpeciesThermoInterpType* STITbyPDSS::duplMyselfAsSpeciesThermoInterpType() const { return new STITbyPDSS(*this); } -//==================================================================================================== -void STITbyPDSS::initAllPtrs(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr) +void STITbyPDSS::initAllPtrs(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, + PDSS* PDSS_ptr) { - AssertThrow(speciesIndex == m_index, "STITbyPDSS::initAllPtrs internal confusion"); + AssertThrow(speciesIndex == m_index, + "STITbyPDSS::initAllPtrs internal confusion"); m_vpssmgr_ptr = vpssmgr_ptr; m_PDSS_ptr = PDSS_ptr; } -//==================================================================================================== doublereal STITbyPDSS::minTemp() const { return m_PDSS_ptr->minTemp(); } -//==================================================================================================== doublereal STITbyPDSS::maxTemp() const { return m_PDSS_ptr->maxTemp(); } -//==================================================================================================== doublereal STITbyPDSS::refPressure() const { return m_PDSS_ptr->refPressure(); } -//==================================================================================================== int STITbyPDSS::reportType() const { return PDSS_TYPE; } -//==================================================================================================== void STITbyPDSS::updateProperties(const doublereal* tempPoly, doublereal* cp_R, doublereal* h_RT, @@ -132,7 +121,6 @@ void STITbyPDSS::updateProperties(const doublereal* tempPoly, doublereal T = tempPoly[0]; updatePropertiesTemp(T, cp_R, h_RT, s_R); } -//==================================================================================================== void STITbyPDSS::updatePropertiesTemp(const doublereal temp, doublereal* cp_R, @@ -146,7 +134,6 @@ void STITbyPDSS::updatePropertiesTemp(const doublereal temp, cp_R[m_index] = m_PDSS_ptr->cp_R_ref(); s_R[m_index] = m_PDSS_ptr->entropy_R_ref(); } -//==================================================================================================== void STITbyPDSS::reportParameters(size_t& index, int& type, doublereal& minTemp, doublereal& maxTemp, @@ -159,11 +146,5 @@ void STITbyPDSS::reportParameters(size_t& index, int& type, maxTemp = m_vpssmgr_ptr->maxTemp(m_index); refPressure = m_PDSS_ptr->refPressure(); } -//==================================================================================================== - -void STITbyPDSS::modifyParameters(doublereal* coeffs) -{ -} -//==================================================================================================== }