Changed the interface to use an enum quantity. Our namespace is getting
full, and using enums will help us not step on ourselves.
This commit is contained in:
Harry Moffat
parent
ba5852f786
commit
6d903bd549
1 changed files with 247 additions and 241 deletions
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@ -32,279 +32,285 @@
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namespace Cantera {
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class TransportParams;
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//! Transport solve options
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enum TRANSOLVE_TYPE {
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//! Solve the dense matrix via a gmres iteration
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TRANSOLVE_GMRES = 1,
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//! Solve the dense matrix via an LU gauss elimination
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TRANSOLVE_LU
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};
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/////////////////////////////////////////////////////////////
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class TransportParams;
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/////////////////////////////////////////////////////////////
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/**
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* Class L_Matrix is used to represent the "L" matrix. This class
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* is used instead of DenseMatrix so that a version of mult can be
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* used that knows about the structure of the L matrix,
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* specifically that the upper-right and lower-left blocks are
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* zero.
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* @ingroup transportProps
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*/
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class L_Matrix : public DenseMatrix {
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public:
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L_Matrix() {}
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virtual ~L_Matrix(){}
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/**
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* Class L_Matrix is used to represent the "L" matrix. This class
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* is used instead of DenseMatrix so that a version of mult can be
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* used that knows about the structure of the L matrix,
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* specifically that the upper-right and lower-left blocks are
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* zero.
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* @ingroup transportProps
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* This method is used by GMRES to multiply the L matrix by a
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* vector b. The L matrix has a 3x3 block structure, where each
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* block is a K x K matrix. The elements of the upper-right and
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* lower-left blocks are all zero. This method is defined so
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* that the multiplication only involves the seven non-zero
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* blocks.
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*/
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class L_Matrix : public DenseMatrix {
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public:
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L_Matrix() {}
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virtual ~L_Matrix(){}
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/**
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* This method is used by GMRES to multiply the L matrix by a
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* vector b. The L matrix has a 3x3 block structure, where each
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* block is a K x K matrix. The elements of the upper-right and
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* lower-left blocks are all zero. This method is defined so
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* that the multiplication only involves the seven non-zero
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* blocks.
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*/
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virtual void mult(const doublereal* b, doublereal* prod) const;
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};
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virtual void mult(const doublereal* b, doublereal* prod) const;
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};
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const int GMRES = 1, LU = 2;
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/**
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* Class MultiTransport implements multicomponent transport
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* properties for ideal gas mixtures. The implementation generally
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* follows the procedure outlined in Kee, Coltrin, and Glarborg,
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* "Theoretical and Practical Aspects of Chemically Reacting Flow
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* Modeling," Wiley Interscience. @ingroup transportProps
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*/
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class MultiTransport : public Transport {
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public:
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virtual ~MultiTransport();
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// overloaded base class methods
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virtual int model() {
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if (m_mode == CK_Mode)
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return CK_Multicomponent;
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else
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return cMulticomponent;
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}
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virtual doublereal viscosity();
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virtual void getSpeciesViscosities(doublereal* const visc)
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{ updateViscosity_T(); std::copy(m_visc.begin(), m_visc.end(), visc); }
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virtual void getThermalDiffCoeffs(doublereal* const dt);
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virtual doublereal thermalConductivity();
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virtual void getBinaryDiffCoeffs(const int ld, doublereal* const d);
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virtual void getMultiDiffCoeffs(const int ld, doublereal* const d);
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//! Although this class implements a multicomponent diffusion
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//! model, it is convenient to be able to compute
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//! mixture-averaged diffusion coefficients too.
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/*!
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* @param d Mixture averaged diffusion coefficients
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* Length = m_msp, units = m2/sec
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*/
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virtual void getMixDiffCoeffs(doublereal* const d);
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//! Get the species diffusive mass fluxes wrt to
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//! the mass averaged velocity,
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//! given the gradients in mole fraction and temperature
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/*!
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* Units for the returned fluxes are kg m-2 s-1.
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*
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* @param ndim Number of dimensions in the flux expressions
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* @param grad_T Gradient of the temperature
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* (length = ndim)
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* @param ldx Leading dimension of the grad_X array
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* (usually equal to m_nsp but not always)
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* @param grad_X Gradients of the mole fraction
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* Flat vector with the m_nsp in the inner loop.
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* length = ldx * ndim
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* @param ldf Leading dimension of the fluxes array
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* (usually equal to m_nsp but not always)
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* @param fluxes Output of the diffusive mass fluxes
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* Flat vector with the m_nsp in the inner loop.
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* length = ldx * ndim
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*/
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virtual void getSpeciesFluxes(int ndim,
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const doublereal* grad_T,
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int ldx,
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const doublereal* grad_X,
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int ldf,
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doublereal* fluxes);
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virtual void getMolarFluxes(const doublereal* state1,
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const doublereal* state2, doublereal delta,
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doublereal* fluxes);
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virtual void getMassFluxes(const doublereal* state1,
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const doublereal* state2, doublereal delta,
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doublereal* fluxes);
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virtual void setSolutionMethod(TRANSOLVE_TYPE method) {
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if (method == TRANSOLVE_GMRES) m_gmres = true;
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else m_gmres = false;
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}
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virtual void setOptions_GMRES(int m, doublereal eps) {
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if (m > 0) m_mgmres = m;
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if (eps > 0.0) m_eps_gmres = eps;
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}
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void save(std::string outfile);
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/**
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* Class MultiTransport implements multicomponent transport
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* properties for ideal gas mixtures. The implementation generally
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* follows the procedure outlined in Kee, Coltrin, and Glarborg,
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* "Theoretical and Practical Aspects of Chemically Reacting Flow
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* Modeling," Wiley Interscience.
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* @ingroup transportProps
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* @internal
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*/
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class MultiTransport : public Transport {
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public:
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virtual bool init(TransportParams& tr);
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virtual ~MultiTransport();
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/**
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* @name Property Updating This methods are used to update
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* temperature- or concentration-dependent quantities. The
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* methods of the first group (with names that do not begin
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* with an underscore) invoke the 'update' method of the
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* relevant property updater. These methods are the ones that
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* are called by other methods of the class to update
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* properties. The methods that actually perform the updates
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* are the ones with names beginning with an underscore. These
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* are only called by the property updaters.
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*/
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void updateTransport_T();
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void updateTransport_C();
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// overloaded base class methods
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virtual int model() {
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if (m_mode == CK_Mode)
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return CK_Multicomponent;
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else
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return cMulticomponent;
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}
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virtual doublereal viscosity();
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virtual void getSpeciesViscosities(doublereal* const visc)
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{ updateViscosity_T(); std::copy(m_visc.begin(), m_visc.end(), visc); }
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virtual void getThermalDiffCoeffs(doublereal* const dt);
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virtual doublereal thermalConductivity();
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virtual void getBinaryDiffCoeffs(const int ld, doublereal* const d);
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virtual void getMultiDiffCoeffs(const int ld, doublereal* const d);
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//! Although this class implements a multicomponent diffusion
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//! model, it is convenient to be able to compute
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//! mixture-averaged diffusion coefficients too.
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/*!
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* @param d Mixture averaged diffusion coefficients
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* Length = m_msp, units = m2/sec
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*/
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virtual void getMixDiffCoeffs(doublereal* const d);
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//! Get the species diffusive mass fluxes wrt to
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//! the mass averaged velocity,
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//! given the gradients in mole fraction and temperature
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/*!
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* Units for the returned fluxes are kg m-2 s-1.
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*
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* @param ndim Number of dimensions in the flux expressions
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* @param grad_T Gradient of the temperature
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* (length = ndim)
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* @param ldx Leading dimension of the grad_X array
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* (usually equal to m_nsp but not always)
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* @param grad_X Gradients of the mole fraction
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* Flat vector with the m_nsp in the inner loop.
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* length = ldx * ndim
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* @param ldf Leading dimension of the fluxes array
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* (usually equal to m_nsp but not always)
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* @param fluxes Output of the diffusive mass fluxes
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* Flat vector with the m_nsp in the inner loop.
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* length = ldx * ndim
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*/
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virtual void getSpeciesFluxes(int ndim,
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const doublereal* grad_T,
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int ldx,
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const doublereal* grad_X,
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int ldf,
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doublereal* fluxes);
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virtual void getMolarFluxes(const doublereal* state1,
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const doublereal* state2, doublereal delta,
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doublereal* fluxes);
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virtual void getMassFluxes(const doublereal* state1,
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const doublereal* state2, doublereal delta,
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doublereal* fluxes);
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virtual void setSolutionMethod(int method) {
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if (method == GMRES) m_gmres = true;
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else m_gmres = false;
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}
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virtual void setOptions_GMRES(int m, doublereal eps) {
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if (m > 0) m_mgmres = m;
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if (eps > 0.0) m_eps_gmres = eps;
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}
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void save(std::string outfile);
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/**
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* @internal
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*/
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virtual bool init(TransportParams& tr);
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void updateThermal_T();
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void updateViscosity_T();
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void updateSpeciesViscosities_T();
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void updateDiff_T();
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/**
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* @name Property Updating This methods are used to update
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* temperature- or concentration-dependent quantities. The
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* methods of the first group (with names that do not begin
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* with an underscore) invoke the 'update' method of the
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* relevant property updater. These methods are the ones that
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* are called by other methods of the class to update
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* properties. The methods that actually perform the updates
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* are the ones with names beginning with an underscore. These
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* are only called by the property updaters.
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*/
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void updateTransport_T();
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void updateTransport_C();
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void _update_transport_T();
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void _update_transport_C();
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void _update_species_visc_T();
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void _update_visc_T();
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void _update_diff_T();
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void _update_thermal_T();
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void updateThermal_T();
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void updateViscosity_T();
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void updateSpeciesViscosities_T();
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void updateDiff_T();
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friend class TransportFactory;
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/**
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* Return a structure containing all of the pertinent parameters
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* about a species that was used to construct the Transport
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* properties in this object.
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*
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* @param k Species number to obtain the properties from.
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*/
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struct GasTransportData getGasTransportData(int);
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void _update_transport_T();
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void _update_transport_C();
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void _update_species_visc_T();
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void _update_visc_T();
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void _update_diff_T();
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void _update_thermal_T();
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protected:
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/// default constructor
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MultiTransport(thermo_t* thermo=0);
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friend class TransportFactory;
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private:
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/**
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* Return a structure containing all of the pertinent parameters
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* about a species that was used to construct the Transport
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* properties in this object.
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*
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* @param k Species number to obtain the properties from.
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*/
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struct GasTransportData getGasTransportData(int);
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// int m_update_transport_T;
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// int m_update_transport_C;
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// int m_update_spvisc_T;
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// int m_update_visc_T;
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// int m_update_diff_T;
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// int m_update_thermal_T;
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doublereal m_diff_tlast, m_spvisc_tlast, m_visc_tlast,
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m_thermal_tlast;
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// mixture attributes
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int m_nsp;
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doublereal m_tmin, m_tmax;
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vector_fp m_mw;
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// polynomial fits
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std::vector<vector_fp> m_visccoeffs;
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std::vector<vector_fp> m_diffcoeffs;
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vector_fp m_polytempvec;
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// property values
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DenseMatrix m_bdiff;
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vector_fp m_visc;
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vector_fp m_sqvisc;
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array_fp m_molefracs;
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protected:
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/// default constructor
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MultiTransport(thermo_t* thermo=0);
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std::vector<std::vector<int> > m_poly;
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std::vector<vector_fp > m_astar_poly;
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std::vector<vector_fp > m_bstar_poly;
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std::vector<vector_fp > m_cstar_poly;
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std::vector<vector_fp > m_om22_poly;
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DenseMatrix m_astar;
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DenseMatrix m_bstar;
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DenseMatrix m_cstar;
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DenseMatrix m_om22;
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private:
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DenseMatrix m_phi; // viscosity weighting functions
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DenseMatrix m_wratjk, m_wratkj1;
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// int m_update_transport_T;
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// int m_update_transport_C;
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// int m_update_spvisc_T;
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// int m_update_visc_T;
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// int m_update_diff_T;
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// int m_update_thermal_T;
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vector_fp m_zrot;
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vector_fp m_crot;
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vector_fp m_cinternal;
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vector_fp m_eps;
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vector_fp m_alpha;
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vector_fp m_dipoleDiag;
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doublereal m_diff_tlast, m_spvisc_tlast, m_visc_tlast,
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m_thermal_tlast;
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doublereal m_temp, m_logt, m_kbt, m_t14, m_t32;
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doublereal m_sqrt_kbt, m_sqrt_t;
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// mixture attributes
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int m_nsp;
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doublereal m_tmin, m_tmax;
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vector_fp m_mw;
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vector_fp m_sqrt_eps_k;
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DenseMatrix m_log_eps_k;
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vector_fp m_frot_298;
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vector_fp m_rotrelax;
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// polynomial fits
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std::vector<vector_fp> m_visccoeffs;
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std::vector<vector_fp> m_diffcoeffs;
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vector_fp m_polytempvec;
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doublereal m_lambda;
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// property values
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DenseMatrix m_bdiff;
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vector_fp m_visc;
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vector_fp m_sqvisc;
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// L matrix quantities
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L_Matrix m_Lmatrix;
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DenseMatrix m_aa;
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//DenseMatrix m_Lmatrix;
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vector_fp m_a;
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vector_fp m_b;
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array_fp m_molefracs;
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bool m_gmres;
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int m_mgmres;
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doublereal m_eps_gmres;
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// work space
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vector_fp m_spwork, m_spwork1, m_spwork2, m_spwork3;
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std::vector<std::vector<int> > m_poly;
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std::vector<vector_fp > m_astar_poly;
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std::vector<vector_fp > m_bstar_poly;
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std::vector<vector_fp > m_cstar_poly;
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std::vector<vector_fp > m_om22_poly;
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DenseMatrix m_astar;
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DenseMatrix m_bstar;
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DenseMatrix m_cstar;
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DenseMatrix m_om22;
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void correctBinDiffCoeffs();
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bool m_visc_ok;
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bool m_spvisc_ok;
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bool m_diff_ok;
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bool m_abc_ok;
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bool m_l0000_ok;
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bool m_lmatrix_soln_ok;
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int m_mode;
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DenseMatrix m_phi; // viscosity weighting functions
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DenseMatrix m_wratjk, m_wratkj1;
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void eval_L0000(const doublereal* x);
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void eval_L0010(const doublereal* x);
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void eval_L1000();
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void eval_L0100();
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void eval_L0001();
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void eval_L1010(const doublereal* x);
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void eval_L1001(const doublereal* x);
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void eval_L0110();
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void eval_L0101(const doublereal* x);
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bool hasInternalModes(int j);
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vector_fp m_zrot;
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vector_fp m_crot;
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vector_fp m_cinternal;
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vector_fp m_eps;
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vector_fp m_alpha;
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vector_fp m_dipoleDiag;
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doublereal pressure_ig() {
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return m_thermo->molarDensity() * GasConstant * m_thermo->temperature();
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}
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doublereal m_temp, m_logt, m_kbt, m_t14, m_t32;
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doublereal m_sqrt_kbt, m_sqrt_t;
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vector_fp m_sqrt_eps_k;
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DenseMatrix m_log_eps_k;
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vector_fp m_frot_298;
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vector_fp m_rotrelax;
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doublereal m_lambda;
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// L matrix quantities
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L_Matrix m_Lmatrix;
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DenseMatrix m_aa;
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//DenseMatrix m_Lmatrix;
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vector_fp m_a;
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vector_fp m_b;
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bool m_gmres;
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int m_mgmres;
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doublereal m_eps_gmres;
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// work space
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vector_fp m_spwork, m_spwork1, m_spwork2, m_spwork3;
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void correctBinDiffCoeffs();
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bool m_visc_ok;
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bool m_spvisc_ok;
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||||
bool m_diff_ok;
|
||||
bool m_abc_ok;
|
||||
bool m_l0000_ok;
|
||||
bool m_lmatrix_soln_ok;
|
||||
int m_mode;
|
||||
|
||||
void eval_L0000(const doublereal* x);
|
||||
void eval_L0010(const doublereal* x);
|
||||
void eval_L1000();
|
||||
void eval_L0100();
|
||||
void eval_L0001();
|
||||
void eval_L1010(const doublereal* x);
|
||||
void eval_L1001(const doublereal* x);
|
||||
void eval_L0110();
|
||||
void eval_L0101(const doublereal* x);
|
||||
bool hasInternalModes(int j);
|
||||
|
||||
doublereal pressure_ig() {
|
||||
return m_thermo->molarDensity() * GasConstant * m_thermo->temperature();
|
||||
}
|
||||
|
||||
void solveLMatrixEquation();
|
||||
DenseMatrix m_epsilon;
|
||||
DenseMatrix m_diam;
|
||||
DenseMatrix incl;
|
||||
bool m_debug;
|
||||
};
|
||||
void solveLMatrixEquation();
|
||||
DenseMatrix m_epsilon;
|
||||
DenseMatrix m_diam;
|
||||
DenseMatrix incl;
|
||||
bool m_debug;
|
||||
};
|
||||
}
|
||||
#endif
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue