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Doxygen update for MixTransport

Browse source 
Fleshed out and implemented the copy constructor, assignment operator,
and the duplicator for the object.
This commit is contained in:
Harry Moffat 2010-07-21 23:24:10 +00:00
parent 4334ec5d8a
commit ec23984da8
2 changed files with 322 additions and 68 deletions
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294
Cantera/src/transport/MixTransport.cpp
View file

@ -31,25 +31,232 @@ using namespace std;
* Mole fractions below MIN_X will be set to MIN_X when computing
* transport properties.
*/
#ifndef MIN_X
#define MIN_X 1.e-20
#endif
namespace Cantera {
//////////////////// class MixTransport methods //////////////
//====================================================================================================================
MixTransport::MixTransport() :
m_nsp(0),
m_tmin(-1.0),
m_tmax(100000.),
m_mw(0),
m_visccoeffs(0),
m_condcoeffs(0),
m_diffcoeffs(0),
m_polytempvec(0),
m_bdiff(0, 0),
m_visc(0),
m_sqvisc(0),
m_cond(0),
m_molefracs(0),
m_poly(0),
m_astar_poly(0),
m_bstar_poly(0),
m_cstar_poly(0),
m_om22_poly(0),
m_astar(0, 0),
m_bstar(0, 0),
m_cstar(0, 0),
m_om22(0, 0),
m_phi(0,0),
m_wratjk(0,0),
m_wratkj1(0,0),
m_zrot(0),
m_crot(0),
m_cinternal(0),
m_eps(0),
m_alpha(0),
m_dipoleDiag(0),
m_temp(-1.0),
m_logt(0.0)
m_logt(0.0),
m_kbt(0.0),
m_t14(0.0),
m_t32(0.0),
m_sqrt_kbt(0.0),
m_sqrt_t(0.0),
m_sqrt_eps_k(0),
m_log_eps_k(0, 0),
m_frot_298(0),
m_rotrelax(0),
m_lambda(0.0),
m_viscmix(0.0),
m_spwork(0),
m_viscmix_ok(false),
m_viscwt_ok(false),
m_spvisc_ok(false),
m_diffmix_ok(false),
m_bindiff_ok(false),
m_abc_ok (false),
m_spcond_ok(false),
m_condmix_ok(false),
m_mode(0),
m_epsilon(0, 0),
m_diam(0, 0),
incl(0, 0),
m_debug(false)
{
}
//====================================================================================================================
MixTransport::MixTransport(const MixTransport &right) :
m_nsp(0),
m_tmin(-1.0),
m_tmax(100000.),
m_mw(0),
m_visccoeffs(0),
m_condcoeffs(0),
m_diffcoeffs(0),
m_polytempvec(0),
m_bdiff(0, 0),
m_visc(0),
m_sqvisc(0),
m_cond(0),
m_molefracs(0),
m_poly(0),
m_astar_poly(0),
m_bstar_poly(0),
m_cstar_poly(0),
m_om22_poly(0),
m_astar(0, 0),
m_bstar(0, 0),
m_cstar(0, 0),
m_om22(0, 0),
m_phi(0,0),
m_wratjk(0,0),
m_wratkj1(0,0),
m_zrot(0),
m_crot(0),
m_cinternal(0),
m_eps(0),
m_alpha(0),
m_dipoleDiag(0),
m_temp(-1.0),
m_logt(0.0),
m_kbt(0.0),
m_t14(0.0),
m_t32(0.0),
m_sqrt_kbt(0.0),
m_sqrt_t(0.0),
m_sqrt_eps_k(0),
m_log_eps_k(0, 0),
m_frot_298(0),
m_rotrelax(0),
m_lambda(0.0),
m_viscmix(0.0),
m_spwork(0),
m_viscmix_ok(false),
m_viscwt_ok(false),
m_spvisc_ok(false),
m_diffmix_ok(false),
m_bindiff_ok(false),
m_abc_ok (false),
m_spcond_ok(false),
m_condmix_ok(false),
m_mode(0),
m_epsilon(0, 0),
m_diam(0, 0),
incl(0, 0),
m_debug(false)
{
*this = right;
}
//====================================================================================================================
// Assignment operator
/*
* This is NOT a virtual function.
*
* @param right Reference to %LiquidTransport object to be copied
* into the current one.
*/
MixTransport& MixTransport::operator=(const MixTransport& right) {
if (&right == this) {
return *this;
}
Transport::operator=(right);
m_nsp = right.m_nsp;
m_tmin = right.m_tmin;
m_tmax = right.m_tmax;
m_mw =right.m_mw;
m_visccoeffs = right.m_visccoeffs;
m_condcoeffs = right.m_condcoeffs;
m_diffcoeffs = right.m_diffcoeffs;
m_polytempvec = right.m_polytempvec;
m_bdiff = right.m_bdiff;
m_visc = right.m_visc;
m_sqvisc = right.m_sqvisc;
m_cond = right.m_cond;
m_molefracs = right.m_molefracs;
m_poly = right.m_poly;
m_astar_poly = right.m_astar_poly;
m_bstar_poly = right.m_bstar_poly;
m_cstar_poly = right.m_cstar_poly;
m_om22_poly = right.m_om22_poly;
m_astar = right.m_astar;
m_bstar = right.m_bstar;
m_cstar = right.m_cstar;
m_om22 = right.m_om22;
m_phi = right.m_phi;
m_wratjk = right.m_wratjk;
m_wratkj1 = right.m_wratkj1;
m_zrot = right.m_zrot;
m_crot = right.m_crot;
m_cinternal = right.m_cinternal;
m_eps = right.m_eps;
m_alpha = right.m_alpha;
m_dipoleDiag = right.m_dipoleDiag;
m_temp = right.m_temp;
m_logt = right.m_logt;
m_kbt = right.m_kbt;
m_t14 = right.m_t14;
m_t32 = right.m_t32;
m_sqrt_kbt = right.m_sqrt_kbt;
m_sqrt_t = right.m_sqrt_t;
m_sqrt_eps_k = right.m_sqrt_eps_k;
m_log_eps_k = right.m_log_eps_k;
m_frot_298 = right.m_frot_298;
m_rotrelax = right.m_rotrelax;
m_lambda = right.m_lambda;
m_viscmix = right.m_viscmix;
m_spwork = right.m_spwork;
m_viscmix_ok = right.m_viscmix_ok;
m_viscwt_ok = right.m_viscwt_ok;
m_spvisc_ok = right.m_spvisc_ok;
m_diffmix_ok = right.m_diffmix_ok;
m_bindiff_ok = right.m_bindiff_ok;
m_abc_ok = right.m_abc_ok;
m_spcond_ok = right.m_spcond_ok;
m_condmix_ok = right.m_condmix_ok;
m_mode = right.m_mode;
m_epsilon = right.m_epsilon;
m_diam = right.m_diam;
incl = right.incl;
m_debug = right.m_debug;
return *this;
}
//====================================================================================================================
// Duplication routine for objects which inherit from %Transport
/*
* This virtual routine can be used to duplicate %Transport objects
* inherited from %Transport even if the application only has
* a pointer to %Transport to work with.
*
* These routines are basically wrappers around the derived copy
* constructor.
*/
Transport *MixTransport::duplMyselfAsTransport() const {
MixTransport* tr = new MixTransport(*this);
return (dynamic_cast<Transport *>(tr));
}
//====================================================================================================================
MixTransport::~MixTransport()
{
}
//====================================================================================================================
bool MixTransport::initGas( GasTransportParams& tr ) {
// constant substance attributes
@ -113,29 +320,24 @@ namespace Cantera {
return true;
}
/*********************************************************
//====================================================================================================================
// Viscosity of the mixture
/*
*
* Public methods
*
*********************************************************/
/****************** viscosity ******************************/
/**
* The viscosity is computed using the Wilke mixture rule.
* \f[
* \mu = \sum_k \frac{\mu_k X_k}{\sum_j \Phi_{k,j} X_j}.
* \f]
* Here \f$ \mu_k \f$ is the viscosity of pure species \e k,
* and
* \f[
* \Phi_{k,j} = \frac{\left[1
* + \sqrt{\left(\frac{\mu_k}{\mu_j}\sqrt{\frac{M_j}{M_k}}\right)}\right]^2}
* {\sqrt{8}\sqrt{1 + M_k/M_j}}
* \f]
*
* \f[
* \mu = \sum_k \frac{\mu_k X_k}{\sum_j \Phi_{k,j} X_j}.
* \f]
*
* Here \f$ \mu_k \f$ is the viscosity of pure species \e k, and
*
* \f[
* \Phi_{k,j} = \frac{\left[1
* + \sqrt{\left(\frac{\mu_k}{\mu_j}\sqrt{\frac{M_j}{M_k}}\right)}\right]^2}
* {\sqrt{8}\sqrt{1 + M_k/M_j}}
* \f]
*
* @see updateViscosity_T();
*/
doublereal MixTransport::viscosity() {
@ -158,7 +360,7 @@ namespace Cantera {
m_viscmix = vismix;
return vismix;
}
//====================================================================================================================
/******************* binary diffusion coefficients **************/
@ -321,7 +523,7 @@ namespace Cantera {
}
}
//===========================================================================================================
/**
/*
* @internal This is called whenever a transport property is
* requested from ThermoSubstance if the temperature has changed
* since the last call to update_T.
@ -360,8 +562,8 @@ namespace Cantera {
m_abc_ok = false;
m_condmix_ok = false;
}
/**
//====================================================================================================================
/*
* @internal This is called the first time any transport property
* is requested from Mixture after the concentrations
* have changed.
@ -384,15 +586,15 @@ namespace Cantera {
m_molefracs[k] = fmaxx(MIN_X, m_molefracs[k]);
}
}
//====================================================================================================================
/*************************************************************************
*
* methods to update temperature-dependent properties
*
*************************************************************************/
/**
//====================================================================================================================
/*
* Update the temperature-dependent parts of the mixture-averaged
* thermal conductivity.
*/
@ -413,8 +615,8 @@ namespace Cantera {
m_condmix_ok = false;
}
/**
//====================================================================================================================
/*
* Update the binary diffusion coefficients. These are evaluated
* from the polynomial fits at unit pressure (1 Pa).
*/
@ -446,9 +648,8 @@ namespace Cantera {
m_bindiff_ok = true;
m_diffmix_ok = false;
}
/**
//====================================================================================================================
/*
* Update the pure-species viscosities.
*/
void MixTransport::updateSpeciesViscosities() {
@ -470,8 +671,8 @@ namespace Cantera {
m_spvisc_ok = true;
}
/**
//====================================================================================================================
/*
* Update the temperature-dependent viscosity terms.
* Updates the array of pure species viscosities, and the
* weighting functions in the viscosity mixture rule.
@ -499,14 +700,13 @@ namespace Cantera {
}
m_viscwt_ok = true;
}
/**
//====================================================================================================================
/*
* This function returns a Transport data object for a given species.
*
*/
struct GasTransportData MixTransport::
getGasTransportData(int kSpecies)
{
struct GasTransportData MixTransport::getGasTransportData(int kSpecies) const {
struct GasTransportData td;
td.speciesName = m_thermo->speciesName(kSpecies);
@ -524,6 +724,6 @@ namespace Cantera {
return td;
}
//====================================================================================================================
}

96
Cantera/src/transport/MixTransport.h
View file

@ -45,11 +45,52 @@ namespace Cantera {
*/
class MixTransport : public Transport {
protected:
//! Default constructor.
/*!
*
*/
MixTransport();
public:
//!Copy Constructor for the %MixTransport object.
/*!
* @param right %LiquidTransport to be copied
*/
MixTransport(const MixTransport &right);
virtual ~MixTransport() {}
//! Assignment operator
/*!
* This is NOT a virtual function.
*
* @param right Reference to %LiquidTransport object to be copied
* into the current one.
*/
MixTransport& operator=(const MixTransport& right);
//! Duplication routine for objects which inherit from
//! %Transport
/*!
* This virtual routine can be used to duplicate %Transport objects
* inherited from %Transport even if the application only has
* a pointer to %Transport to work with.
*
* These routines are basically wrappers around the derived copy
* constructor.
*/
virtual Transport *duplMyselfAsTransport() const;
virtual int model() const { return cMixtureAveraged; }
//! Destructor
virtual ~MixTransport();
//! Return the model id for transport
/*!
* @return cMixtureAverage
*/
virtual int model() const {
return cMixtureAveraged;
}
//! Viscosity of the mixture
/*!
@ -158,19 +199,17 @@ namespace Cantera {
friend class TransportFactory;
/**
* Return a structure containing all of the pertinent parameters
* about a species that was used to construct the Transport
* properties in this object.
//! Return a structure containing all of the pertinent parameters about a species that was
//! used to construct the Transport properties in this object.
/*!
* @param kspec Species number to obtain the properties from.
*
* @param k Species number to obtain the properties from.
* @return GasTransportData returned structure.
*/
struct GasTransportData getGasTransportData(int);
struct GasTransportData getGasTransportData(int kspec) const;
protected:
/// default constructor
MixTransport();
private:
@ -179,6 +218,16 @@ namespace Cantera {
return (m_thermo->molarDensity() * GasConstant *
m_thermo->temperature());
}
void updateThermal_T();
void updateViscosity_T();
void updateCond_T();
void updateSpeciesViscosities();
void updateDiff_T();
void correctBinDiffCoeffs();
// --------- Member Data -------------
// mixture attributes
int m_nsp;
@ -200,11 +249,14 @@ namespace Cantera {
// property values
DenseMatrix m_bdiff;
//! vector of species viscosities
vector_fp m_visc;
vector_fp m_sqvisc;
vector_fp m_cond;
array_fp m_molefracs;
//! Vector of species molefractions
array_fp m_molefracs;
std::vector<std::vector<int> > m_poly;
std::vector<vector_fp > m_astar_poly;
@ -228,8 +280,13 @@ namespace Cantera {
vector_fp m_alpha;
vector_fp m_dipoleDiag;
doublereal m_temp, m_logt, m_kbt, m_t14, m_t32;
doublereal m_sqrt_kbt, m_sqrt_t;
doublereal m_temp;
doublereal m_logt;
doublereal m_kbt;
doublereal m_t14;
doublereal m_t32;
doublereal m_sqrt_kbt;
doublereal m_sqrt_t;
vector_fp m_sqrt_eps_k;
DenseMatrix m_log_eps_k;
@ -242,12 +299,7 @@ namespace Cantera {
// work space
vector_fp m_spwork;
void updateThermal_T();
void updateViscosity_T();
void updateCond_T();
void updateSpeciesViscosities();
void updateDiff_T();
void correctBinDiffCoeffs();
bool m_viscmix_ok;
bool m_viscwt_ok;
bool m_spvisc_ok;
@ -262,6 +314,8 @@ namespace Cantera {
DenseMatrix m_epsilon;
DenseMatrix m_diam;
DenseMatrix incl;
//! Debug flag - turns on more printing
bool m_debug;
};
}