26 #ifndef GRINS_CANTERA_EVALUATOR_H
27 #define GRINS_CANTERA_EVALUATOR_H
29 #include "grins_config.h"
31 #ifdef GRINS_HAVE_CANTERA
56 libMesh::Real
M(
unsigned int species )
const;
58 libMesh::Real
M_mix(
const std::vector<libMesh::Real>& mass_fractions )
const;
60 libMesh::Real
R(
unsigned int species )
const;
62 libMesh::Real
R_mix(
const std::vector<libMesh::Real>& mass_fractions )
const;
64 libMesh::Real
X(
unsigned int species, libMesh::Real M, libMesh::Real mass_fraction )
const;
66 void X( libMesh::Real M,
const std::vector<libMesh::Real>& mass_fractions,
67 std::vector<libMesh::Real>& mole_fractions )
const;
71 std::string
species_name(
unsigned int species_index )
const;
74 libMesh::Real
cp(
const CachedValues& cache,
unsigned int qp )
const;
76 libMesh::Real
cv(
const CachedValues& cache,
unsigned int qp )
const;
78 libMesh::Real
h_s(
const CachedValues& cache,
unsigned int qp,
unsigned int species)
const;
80 void h_s(
const CachedValues& cache,
unsigned int qp, std::vector<libMesh::Real>& h)
const;
82 libMesh::Real
h_s(
const libMesh::Real& T,
unsigned int species );
85 libMesh::Real
mu(
const CachedValues& cache,
unsigned int qp )
const;
87 libMesh::Real
k(
const CachedValues& cache,
unsigned int qp )
const;
90 libMesh::Real& mu, libMesh::Real& k );
93 std::vector<libMesh::Real>&
D )
const;
97 std::vector<libMesh::Real>&
omega_dot )
const;
99 void omega_dot(
const libMesh::Real& T, libMesh::Real rho,
100 const std::vector<libMesh::Real> mass_fractions,
101 std::vector<libMesh::Real>& omega_dot );
103 libMesh::Real
cp(
const libMesh::Real& ,
104 const std::vector<libMesh::Real>& )
106 libmesh_not_implemented();
110 libMesh::Real
mu(
const libMesh::Real& ,
111 const std::vector<libMesh::Real>& )
113 libmesh_not_implemented();
117 libMesh::Real
k(
const libMesh::Real& ,
118 const std::vector<libMesh::Real>& )
120 libmesh_not_implemented();
124 void D(
const libMesh::Real ,
125 const libMesh::Real ,
126 const libMesh::Real ,
127 std::vector<libMesh::Real>& )
129 libmesh_not_implemented();
175 libMesh::Real
CanteraEvaluator::X(
unsigned int species, libMesh::Real M, libMesh::Real mass_fraction )
const
177 return _chem.
X(species,M,mass_fraction);
182 std::vector<libMesh::Real>& mole_fractions )
const
184 _chem.
X(M,mass_fractions,mole_fractions);
245 libMesh::Real& mu, libMesh::Real& k )
254 std::vector<libMesh::Real>& D )
const
261 std::vector<libMesh::Real>& omega_dot )
const
268 const std::vector<libMesh::Real> mass_fractions,
269 std::vector<libMesh::Real>& omega_dot )
276 #endif // GRINS_HAVE_CANTERA
278 #endif // GRINS_CANTERA_EVALUATOR_H
libMesh::Real R(unsigned int species) const
libMesh::Real X(unsigned int species, libMesh::Real M, libMesh::Real mass_fraction) const
void omega_dot_TRY(const libMesh::Real &T, const libMesh::Real rho, const std::vector< libMesh::Real > &mass_fractions, std::vector< libMesh::Real > &omega_dot) const
CanteraKinetics _kinetics
libMesh::Real h_s(const CachedValues &cache, unsigned int qp, unsigned int species) const
void D(const libMesh::Real, const libMesh::Real, const libMesh::Real, std::vector< libMesh::Real > &)
void D(const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &D) const
libMesh::Real mu(const libMesh::Real &, const std::vector< libMesh::Real > &)
libMesh::Real M_mix(const std::vector< libMesh::Real > &mass_fractions) const
void omega_dot(const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &omega_dot) const
libMesh::Real cp(const CachedValues &cache, unsigned int qp) const
libMesh::Real cv(const CachedValues &cache, unsigned int qp) const
Wrapper class for evaluating thermo properties using Cantera.
libMesh::Real R(unsigned int species) const
CanteraTransport _transport
libMesh::Real mu(const CachedValues &cache, unsigned int qp) const
void omega_dot(const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &omega_dot) const
std::string species_name(unsigned int species_index) const
CanteraThermodynamics _thermo
libMesh::Real k(const CachedValues &cache, unsigned int qp) const
unsigned int species_index(const std::string &species_name) const
libMesh::Real cp(const libMesh::Real &, const std::vector< libMesh::Real > &)
unsigned int species_index(const std::string &species_name) const
void D(const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &D) const
void mu_and_k(const CachedValues &cache, unsigned int qp, libMesh::Real &mu, libMesh::Real &k)
std::string species_name(unsigned int species_index) const
libMesh::Real k(const libMesh::Real &, const std::vector< libMesh::Real > &)
Wrapper class for evaluating thermochemistry and transport properties using Cantera.
libMesh::Real M_mix(const std::vector< libMesh::Real > &mass_fractions) const
libMesh::Real mu(const CachedValues &cache, unsigned int qp) const
libMesh::Real M(unsigned int species) const
libMesh::Real R_mix(const std::vector< libMesh::Real > &mass_fractions) const
libMesh::Real R_mix(const std::vector< libMesh::Real > &mass_fractions) const
libMesh::Real cv(const CachedValues &cache, unsigned int qp) const
libMesh::Real k(const CachedValues &cache, unsigned int qp) const
Wrapper class for storing state for computing thermochemistry and transport properties using Cantera...
libMesh::Real X(unsigned int species, libMesh::Real M, libMesh::Real mass_fraction) const
libMesh::Real h(const CachedValues &cache, unsigned int qp, unsigned int species) const
Wrapper class for evaluating transport properties using Cantera.
libMesh::Real cp(const CachedValues &cache, unsigned int qp) const
libMesh::Real M(unsigned int species) const