diff --git a/doc/sphinx/cython/transport.rst b/doc/sphinx/cython/transport.rst index c8e8233de..d9cffe4d0 100644 --- a/doc/sphinx/cython/transport.rst +++ b/doc/sphinx/cython/transport.rst @@ -5,3 +5,8 @@ Transport Properties .. autoclass:: Transport(infile='', phaseid='') .. autoclass:: DustyGasTransport(infile='', phaseid='') + +Species Transport Properties +---------------------------- + +.. autoclass:: GasTransportData(geometry='', diameter=-1, well_depth=-1, dipole=0.0, polarizability=0.0, rotational_relaxation=0.0, acentric_factor=0.0) diff --git a/interfaces/cython/cantera/transport.pyx b/interfaces/cython/cantera/transport.pyx index eb7509f94..4e110af02 100644 --- a/interfaces/cython/cantera/transport.pyx +++ b/interfaces/cython/cantera/transport.pyx @@ -17,6 +17,14 @@ cdef np.ndarray get_transport_2d(Transport tran, transportMethod2d method): cdef class GasTransportData: + """ + Transport data for a single gas-phase species which can be used in + mixture-averaged or multicomponent transport models. + + The arguments passed to the constructor are equivalent to the properties of + the object, with values in MKS units. To set properties in non-MKS units, + use the `set_customary_units` method. + """ def __cinit__(self, geometry='', diameter=-1, well_depth=-1, dipole=0.0, polarizability=0.0, rotational_relaxation=0.0, acentric_factor=0.0, *, init=True): @@ -33,46 +41,65 @@ cdef class GasTransportData: def set_customary_units(self, geometry, diameter, well_depth, dipole=0.0, polarizability=0.0, rotational_relaxation=0.0, acentric_factor=0.0): + """ + Set the parameters using "customary" units: diameter in Angstroms, well + depth in Kelvin, dipole in Debye, and polarizability in Angstroms^3. + These are the units used in in CK-style input files. + """ self.data.setCustomaryUnits(stringify(geometry), diameter, well_depth, dipole, polarizability, rotational_relaxation, acentric_factor) property geometry: + """ + Get/Set the string specifying the molecular geometry. One of `atom`, + `linear`, or `nonlinear`. + """ def __get__(self): return pystr(self.data.geometry) def __set__(self, geometry): self.data.geometry = stringify(geometry) property diameter: + """ Get/Set the Lennard-Jones collision diameter [m] """ def __get__(self): return self.data.diameter def __set__(self, diameter): self.data.diameter = diameter property well_depth: + """ Get/Set the Lennard-Jones well depth [J] """ def __get__(self): return self.data.well_depth def __set__(self, well_depth): self.data.well_depth = well_depth property dipole: + """ Get/Set the permanent dipole moment of the molecule [Coulomb-m]. """ def __get__(self): return self.data.dipole def __set__(self, dipole): self.data.dipole = dipole property polarizability: + """ Get/Set the polarizability of the molecule [m^3]. """ def __get__(self): return self.data.polarizability def __set__(self, polarizability): self.data.polarizability = polarizability property rotational_relaxation: + """ + Get/Set the rotational relaxation number (the number of collisions it + takes to equilibrate the rotational degrees of freedom with the + temperature). + """ def __get__(self): return self.data.rotational_relaxation def __set__(self, rotational_relaxation): self.data.rotational_relaxation = rotational_relaxation property acentric_factor: + """ Get/Set Pitzer's acentric factor. [dimensionless] """ def __get__(self): return self.data.acentric_factor def __set__(self, acentric_factor):