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Removed deadwood data members and member functions
This commit is contained in:
Harry Moffat 2010-08-11 15:36:27 +00:00
parent 6766225d80
commit 7813618357
2 changed files with 130 additions and 96 deletions
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72
Cantera/src/transport/MixTransport.cpp
View file

@ -57,11 +57,6 @@ namespace Cantera {
m_phi(0,0),
m_wratjk(0,0),
m_wratkj1(0,0),
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),
@ -69,25 +64,22 @@ namespace Cantera {
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_eps(0),
m_diam(0, 0),
incl(0, 0),
m_dipoleDiag(0),
m_alpha(0),
m_crot(0),
m_zrot(0),
m_debug(false)
{
}
@ -110,11 +102,6 @@ namespace Cantera {
m_phi(0,0),
m_wratjk(0,0),
m_wratkj1(0,0),
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),
@ -122,25 +109,22 @@ namespace Cantera {
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_eps(0),
m_diam(0, 0),
incl(0, 0),
m_dipoleDiag(0),
m_alpha(0),
m_crot(0),
m_zrot(0),
m_debug(false)
{
*this = right;
@ -176,12 +160,6 @@ namespace Cantera {
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;
@ -189,25 +167,22 @@ namespace Cantera {
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_eps = right.m_eps;
m_diam = right.m_diam;
incl = right.incl;
m_dipoleDiag = right.m_dipoleDiag;
m_alpha = right.m_alpha;
m_crot = right.m_crot;
m_zrot = right.m_zrot;
m_debug = right.m_debug;
return *this;
@ -252,7 +227,6 @@ namespace Cantera {
m_zrot = tr.zrot;
m_crot = tr.crot;
m_epsilon = tr.epsilon;
m_mode = tr.mode_;
m_diam = tr.diam;
m_eps = tr.eps;
@ -288,9 +262,6 @@ namespace Cantera {
m_spvisc_ok = false;
m_spcond_ok = false;
m_condmix_ok = false;
m_spcond_ok = false;
m_diffmix_ok = false;
m_abc_ok = false;
return true;
}
@ -548,9 +519,7 @@ namespace Cantera {
m_spvisc_ok = false;
m_viscwt_ok = false;
m_spcond_ok = false;
m_diffmix_ok = false;
m_bindiff_ok = false;
m_abc_ok = false;
m_condmix_ok = false;
}
//====================================================================================================================
@ -566,7 +535,6 @@ namespace Cantera {
// fractions.
m_viscmix_ok = false;
m_diffmix_ok = false;
m_condmix_ok = false;
m_thermo->getMoleFractions(DATA_PTR(m_molefracs));
@ -578,13 +546,6 @@ namespace Cantera {
}
}
//====================================================================================================================
/*************************************************************************
*
* methods to update temperature-dependent properties
*
*************************************************************************/
//====================================================================================================================
/*
* Update the temperature-dependent parts of the mixture-averaged
* thermal conductivity.
@ -605,7 +566,6 @@ namespace Cantera {
m_spcond_ok = true;
m_condmix_ok = false;
}
//====================================================================================================================
/*
* Update the binary diffusion coefficients. These are evaluated
@ -635,9 +595,7 @@ namespace Cantera {
}
}
}
m_bindiff_ok = true;
m_diffmix_ok = false;
}
//====================================================================================================================
/*

154
Cantera/src/transport/MixTransport.h
View file

@ -276,16 +276,32 @@ namespace Cantera {
}
void updateThermal_T();
void updateViscosity_T();
//! Update the temperature dependent parts of the species thermal conductivities
/*!
* These are evaluated from the polynomial fits of the temperature and are assumed to be
* independent of pressure
*/
void updateCond_T();
//! Update the species viscosities
/*!
* These are evaluated from the polynomial fits of the temperature and are assumed to be
* independent of pressure
*/
void updateSpeciesViscosities();
//! Update the binary diffusion coefficients
/*!
* These are evaluated from the polynomial fits of the temperature at the unit pressure of 1 Pa.
*/
void updateDiff_T();
void correctBinDiffCoeffs();
// --------- Member Data -------------
private:
// mixture attributes
//! Number of species in the phase
int m_nsp;
//! Minimum value of the temperature that this transport parameterization is valid
@ -301,6 +317,11 @@ namespace Cantera {
std::vector<vector_fp> m_visccoeffs;
std::vector<vector_fp> m_condcoeffs;
std::vector<vector_fp> m_diffcoeffs;
//! Powers of the ln temperature
/*!
* up to fourth order
*/
vector_fp m_polytempvec;
// property values
@ -342,32 +363,11 @@ namespace Cantera {
DenseMatrix m_wratjk;
DenseMatrix m_wratkj1;
//! Rotational relaxation number for the species in the current phase
/*!
* Not used in this routine -> just a passthrough
*
* length is the number of species in the phase
* units are dimensionless
*/
vector_fp m_zrot;
//! Dimensionless rotational heat capacity of the species in the current phase
/*!
* These values are 0, 1 and 1.5 for single-molecule, linear, and nonlinear species respectively
* length is the number of species in the pahse
* units are dimensionless (Cr / R)
*/
vector_fp m_crot;
vector_fp m_cinternal;
//! Lennard-Jones well-depth of the species in the current phase
/*!
* length is the number of species in the phase
* Units are Joules (Note this is not Joules/kmol) (note, no kmol -> this is a per molecule amount)
*/
vector_fp m_eps;
vector_fp m_alpha;
vector_fp m_dipoleDiag;
//! Current value of the temperature at which the properties in this object are calculated (Kelvin)
doublereal m_temp;
@ -384,35 +384,111 @@ namespace Cantera {
//! Current value of temperature to the 3/2 power
doublereal m_t32;
//! current value of Boltzman's constant times the temperature (Joules) to 1/2 power
doublereal m_sqrt_kbt;
//! current value of temperature to 1/2 power
doublereal m_sqrt_t;
vector_fp m_sqrt_eps_k;
DenseMatrix m_log_eps_k;
vector_fp m_frot_298;
vector_fp m_rotrelax;
//! Internal storage for the calculated mixture thermal conductivity
/*!
* Units = W /m /K
*/
doublereal m_lambda;
//! Internal storage for the viscosity of the mixture (kg /m /s)
doublereal m_viscmix;
// work space
//! work space length = m_kk
vector_fp m_spwork;
//! Update boolean for mixture rule for the mixture viscosity
bool m_viscmix_ok;
//! Update boolean for the weighting factors for the mixture viscosity
bool m_viscwt_ok;
//! Update boolean for the species viscosities
bool m_spvisc_ok;
bool m_diffmix_ok;
//! Update boolean for the binary diffusivities at unit pressure
bool m_bindiff_ok;
bool m_abc_ok;
//! Update boolean for the species thermal conductivities
bool m_spcond_ok;
//! Update boolean for the mixture rule for the mixture thermal conductivity
bool m_condmix_ok;
//! Type of the polynomial fits to temperature
/*!
* CK_Mode means chemkin mode. Currently CA_Mode is used which are different types
* of fits to temperature.
*/
int m_mode;
DenseMatrix m_epsilon;
//! Lennard-Jones well-depth of the species in the current phase
/*!
* Not used in this routine -> just a passthrough
*
* length is the number of species in the phase
* Units are Joules (Note this is not Joules/kmol) (note, no kmol -> this is a per molecule amount)
*/
vector_fp m_eps;
//! hard-sphere diameter for (i,j) collision
/*!
* Not used in this routine -> just a passthrough
*
* diam(i,j) = 0.5*(tr.sigma[i] + tr.sigma[j]);
* Units are m (note, no kmol -> this is a per molecule amount)
*
* Length nsp * nsp. This is a symmetric matrix.
*/
DenseMatrix m_diam;
DenseMatrix incl;
//! The effective dipole moment for (i,j) collisions
/*!
* tr.dipoleMoment has units of Debye's. A Debye is 10-18 cm3/2 erg1/2
*
* Not used in this routine -> just a passthrough
*
* tr.dipole(i,i) = 1.e-25 * SqrtTen * trdat.dipoleMoment;
* tr.dipole(i,j) = sqrt(tr.dipole(i,i)*tr.dipole(j,j));
* Units are in Debye (note, no kmol -> this is a per molecule amount)
*
* Length nsp. We store only the diagonal component here.
*/
vector_fp m_dipoleDiag;
//! Polarizability of each species in the phase
/*!
* Not used in this routine -> just a passthrough
*
* Length = nsp
* Units = m^3
*/
vector_fp m_alpha;
//! Dimensionless rotational heat capacity of the species in the current phase
/*!
* Not used in this routine -> just a passthrough
*
* These values are 0, 1 and 1.5 for single-molecule, linear, and nonlinear species respectively
* length is the number of species in the pahse
* units are dimensionless (Cr / R)
*/
vector_fp m_crot;
//! Rotational relaxation number for the species in the current phase
/*!
* Not used in this routine -> just a passthrough
*
* length is the number of species in the phase
* units are dimensionless
*/
vector_fp m_zrot;
//! Debug flag - turns on more printing
bool m_debug;