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Clean up formatting of SpeciesThermoInterpType

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This commit is contained in:
Ray Speth 2014-10-15 02:02:46 +00:00
parent e5c3377dd2
commit 930bcceddc
2 changed files with 61 additions and 78 deletions
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86
include/cantera/thermo/SpeciesThermoInterpType.h
View file

@ -1,8 +1,9 @@
/** /**
* @file SpeciesThermoInterpType.h * @file SpeciesThermoInterpType.h
* Pure Virtual Base class for individual species reference state *
* thermodynamic managers and text for the spthermo module * Pure Virtual Base class for individual species reference state thermodynamic
* (see \ref spthermo and class \link Cantera::SpeciesThermoInterpType SpeciesThermoInterpType \endlink). * managers and text for the spthermo module (see \ref spthermo and class \link
* Cantera::SpeciesThermoInterpType SpeciesThermoInterpType \endlink).
*/ */
// Copyright 2001 California Institute of Technology // Copyright 2001 California Institute of Technology
@ -157,24 +158,15 @@ class VPSSMgr;
class SpeciesThermoInterpType class SpeciesThermoInterpType
{ {
public: public:
//! Constructor
SpeciesThermoInterpType(); SpeciesThermoInterpType();
//! Constructor
SpeciesThermoInterpType(size_t n, doublereal tlow, SpeciesThermoInterpType(size_t n, doublereal tlow,
doublereal thigh, doublereal pref); doublereal thigh, doublereal pref);
//! Constructor
/*!
* @param b Object to be copied
*/
SpeciesThermoInterpType(const SpeciesThermoInterpType& b); SpeciesThermoInterpType(const SpeciesThermoInterpType& b);
//! Destructor virtual ~SpeciesThermoInterpType() {}
virtual ~SpeciesThermoInterpType();
//! duplicator
virtual SpeciesThermoInterpType* virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const = 0; duplMyselfAsSpeciesThermoInterpType() const = 0;
@ -205,13 +197,13 @@ public:
//! Update the properties for this species, given a temperature polynomial //! Update the properties for this species, given a temperature polynomial
/*! /*!
* This method is called with a pointer to an array containing the functions of * This method is called with a pointer to an array containing the functions
* temperature needed by this parameterization, and three pointers to arrays where the * of temperature needed by this parameterization, and three pointers to
* computed property values should be written. This method updates only one value in * arrays where the computed property values should be written. This method
* each array. * updates only one value in each array.
* *
* The form and length of the Temperature Polynomial may vary depending on the * The form and length of the Temperature Polynomial may vary depending on
* parameterization. * the parameterization.
* *
* @param tempPoly vector of temperature polynomials * @param tempPoly vector of temperature polynomials
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk). * @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
@ -266,25 +258,31 @@ public:
*/ */
virtual void modifyParameters(doublereal* coeffs) {} 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 * The 298K Heat of Formation is defined as the enthalpy change to create
* of the species from its constituent elements in their standard states at 298 K and 1 bar. * 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 * @param h298 If this is nonnull, the current value of the Heat of
* species m_speciesIndex is returned in h298[m_speciesIndex]. * Formation at 298K and 1 bar for species m_speciesIndex is
* @return Returns the current value of the Heat of Formation at 298K and 1 bar for * returned in h298[m_speciesIndex].
* species 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; 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 * The 298K heat of formation is defined as the enthalpy change to create
* of the species from its constituent elements in their standard states at 298 K and 1 bar. * 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 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); virtual void modifyOneHf298(const size_t k, const doublereal Hf298New);
@ -299,15 +297,15 @@ protected:
size_t m_index; size_t m_index;
}; };
//! Class for the thermodynamic manager for an individual species' reference state //! Class for the thermodynamic manager for an individual species' reference
//! which uses the PDSS base class to satisfy the requests. //! state which uses the PDSS base class to satisfy the requests.
/*! /*!
* This class is a pass-through class for handling thermodynamics calls * This class is a pass-through class for handling thermodynamics calls
* for reference state thermo to an pressure dependent standard state (PDSS) * for reference state thermo to an pressure dependent standard state (PDSS)
* class. For some situations, it makes no sense to have a reference state * 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. * 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). * to the PDSS class, which evaluates the calls at (T, p0).
* *
* @ingroup spthermo * @ingroup spthermo
@ -323,10 +321,12 @@ public:
* @param speciesIndex species index for this object. Note, this must * @param speciesIndex species index for this object. Note, this must
* agree with what was internally set before. * agree with what was internally set before.
* *
* @param vpssmgr_ptr Pointer to the Variable pressure standard state manager * @param vpssmgr_ptr Pointer to the Variable pressure standard state
* that owns the PDSS object that will handle calls for this object * 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); 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 //! Initialize and/or Reinitialize all the pointers for this object
/*! /*!
* This routine is needed because the STITbyPDSS object doesn't own the * This routine is needed because the STITbyPDSS object doesn't own the
* underlying objects. Therefore, shallow copies during duplication operations * underlying objects. Therefore, shallow copies during duplication
* may fail. * operations may fail.
* *
* @param speciesIndex species index for this object. Note, this must * @param speciesIndex species index for this object. Note, this must
* agree with what was internally set before. * agree with what was internally set before.
* *
* @param vpssmgr_ptr Pointer to the Variable pressure standard state manager * @param vpssmgr_ptr Pointer to the Variable pressure standard state
* that owns the PDSS object that will handle calls for this object * 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); void initAllPtrs(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr);
@ -382,7 +384,7 @@ public:
doublereal& refPressure, doublereal& refPressure,
doublereal* const coeffs) const; doublereal* const coeffs) const;
virtual void modifyParameters(doublereal* coeffs); virtual void modifyParameters(doublereal* coeffs) {}
private: private:
//! Pointer to the Variable pressure standard state manager //! Pointer to the Variable pressure standard state manager

53
src/thermo/SpeciesThermoInterpType.cpp
View file

@ -1,6 +1,5 @@
/** /**
* @file SpeciesThermoInterpType.cpp * @file SpeciesThermoInterpType.cpp
* Definitions for a
*/ */
// Copyright 2007 Sandia National Laboratories // Copyright 2007 Sandia National Laboratories
@ -11,7 +10,7 @@
namespace Cantera namespace Cantera
{ {
//====================================================================================================
SpeciesThermoInterpType::SpeciesThermoInterpType() : SpeciesThermoInterpType::SpeciesThermoInterpType() :
m_lowT(0.0), m_lowT(0.0),
m_highT(0.0), m_highT(0.0),
@ -19,16 +18,17 @@ SpeciesThermoInterpType::SpeciesThermoInterpType() :
m_index(0) m_index(0)
{ {
} }
//====================================================================================================
SpeciesThermoInterpType::SpeciesThermoInterpType(size_t n, doublereal tlow, SpeciesThermoInterpType::SpeciesThermoInterpType(size_t n, doublereal tlow,
doublereal thigh, doublereal pref) : doublereal thigh,
doublereal pref) :
m_lowT(tlow), m_lowT(tlow),
m_highT(thigh), m_highT(thigh),
m_Pref(pref), m_Pref(pref),
m_index(n) m_index(n)
{ {
} }
//====================================================================================================
SpeciesThermoInterpType::SpeciesThermoInterpType(const SpeciesThermoInterpType &b) : SpeciesThermoInterpType::SpeciesThermoInterpType(const SpeciesThermoInterpType &b) :
m_lowT(b.m_lowT), m_lowT(b.m_lowT),
m_highT(b.m_highT), m_highT(b.m_highT),
@ -36,38 +36,33 @@ SpeciesThermoInterpType::SpeciesThermoInterpType(const SpeciesThermoInterpType &
m_index(b.m_index) m_index(b.m_index)
{ {
} }
//====================================================================================================
SpeciesThermoInterpType::~SpeciesThermoInterpType()
{
}
//====================================================================================================
void SpeciesThermoInterpType::updateProperties(const doublereal* tempPoly, void SpeciesThermoInterpType::updateProperties(const doublereal* tempPoly,
doublereal* cp_R, doublereal* h_RT, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const
doublereal* s_R) const
{ {
double T = tempPoly[0]; double T = tempPoly[0];
updatePropertiesTemp(T, cp_R, h_RT, s_R); updatePropertiesTemp(T, cp_R, h_RT, s_R);
} }
//====================================================================================================
doublereal SpeciesThermoInterpType::reportHf298(doublereal* const h298) const doublereal SpeciesThermoInterpType::reportHf298(doublereal* const h298) const
{ {
throw CanteraError("SpeciesThermoInterpType::reportHf298", throw CanteraError("SpeciesThermoInterpType::reportHf298",
"Not implemented"); "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", throw CanteraError("SpeciesThermoInterpType::modifyOneHf298",
"Not implemented"); "Not implemented");
} }
//====================================================================================================
//=============================================================================
STITbyPDSS::STITbyPDSS() STITbyPDSS::STITbyPDSS()
{ {
m_index = npos; m_index = npos;
} }
//====================================================================================================
STITbyPDSS::STITbyPDSS(size_t k, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr) : STITbyPDSS::STITbyPDSS(size_t k, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr) :
SpeciesThermoInterpType(), SpeciesThermoInterpType(),
@ -76,7 +71,6 @@ STITbyPDSS::STITbyPDSS(size_t k, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr) :
{ {
m_index = k; m_index = k;
} }
//====================================================================================================
STITbyPDSS::STITbyPDSS(const STITbyPDSS& b) : STITbyPDSS::STITbyPDSS(const STITbyPDSS& b) :
SpeciesThermoInterpType(b), SpeciesThermoInterpType(b),
@ -84,46 +78,41 @@ STITbyPDSS::STITbyPDSS(const STITbyPDSS& b) :
m_PDSS_ptr(b.m_PDSS_ptr) m_PDSS_ptr(b.m_PDSS_ptr)
{ {
} }
//====================================================================================================
SpeciesThermoInterpType* SpeciesThermoInterpType*
STITbyPDSS::duplMyselfAsSpeciesThermoInterpType() const STITbyPDSS::duplMyselfAsSpeciesThermoInterpType() const
{ {
return new STITbyPDSS(*this); 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_vpssmgr_ptr = vpssmgr_ptr;
m_PDSS_ptr = PDSS_ptr; m_PDSS_ptr = PDSS_ptr;
} }
//====================================================================================================
doublereal STITbyPDSS::minTemp() const doublereal STITbyPDSS::minTemp() const
{ {
return m_PDSS_ptr->minTemp(); return m_PDSS_ptr->minTemp();
} }
//====================================================================================================
doublereal STITbyPDSS::maxTemp() const doublereal STITbyPDSS::maxTemp() const
{ {
return m_PDSS_ptr->maxTemp(); return m_PDSS_ptr->maxTemp();
} }
//====================================================================================================
doublereal STITbyPDSS::refPressure() const doublereal STITbyPDSS::refPressure() const
{ {
return m_PDSS_ptr->refPressure(); return m_PDSS_ptr->refPressure();
} }
//====================================================================================================
int STITbyPDSS::reportType() const int STITbyPDSS::reportType() const
{ {
return PDSS_TYPE; return PDSS_TYPE;
} }
//====================================================================================================
void STITbyPDSS::updateProperties(const doublereal* tempPoly, void STITbyPDSS::updateProperties(const doublereal* tempPoly,
doublereal* cp_R, doublereal* h_RT, doublereal* cp_R, doublereal* h_RT,
@ -132,7 +121,6 @@ void STITbyPDSS::updateProperties(const doublereal* tempPoly,
doublereal T = tempPoly[0]; doublereal T = tempPoly[0];
updatePropertiesTemp(T, cp_R, h_RT, s_R); updatePropertiesTemp(T, cp_R, h_RT, s_R);
} }
//====================================================================================================
void STITbyPDSS::updatePropertiesTemp(const doublereal temp, void STITbyPDSS::updatePropertiesTemp(const doublereal temp,
doublereal* cp_R, doublereal* cp_R,
@ -146,7 +134,6 @@ void STITbyPDSS::updatePropertiesTemp(const doublereal temp,
cp_R[m_index] = m_PDSS_ptr->cp_R_ref(); cp_R[m_index] = m_PDSS_ptr->cp_R_ref();
s_R[m_index] = m_PDSS_ptr->entropy_R_ref(); s_R[m_index] = m_PDSS_ptr->entropy_R_ref();
} }
//====================================================================================================
void STITbyPDSS::reportParameters(size_t& index, int& type, void STITbyPDSS::reportParameters(size_t& index, int& type,
doublereal& minTemp, doublereal& maxTemp, doublereal& minTemp, doublereal& maxTemp,
@ -159,11 +146,5 @@ void STITbyPDSS::reportParameters(size_t& index, int& type,
maxTemp = m_vpssmgr_ptr->maxTemp(m_index); maxTemp = m_vpssmgr_ptr->maxTemp(m_index);
refPressure = m_PDSS_ptr->refPressure(); refPressure = m_PDSS_ptr->refPressure();
} }
//====================================================================================================
void STITbyPDSS::modifyParameters(doublereal* coeffs)
{
}
//====================================================================================================
} }