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[Python/Doc] Document GasTransportData

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Ray Speth 2015-05-05 11:33:50 -04:00
parent 18e2ab7c8d
commit d68c41197e
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5
doc/sphinx/cython/transport.rst
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@ -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)

27
interfaces/cython/cantera/transport.pyx
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@ -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):