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[Python] Added implementation and docstrings for class InterfacePhase

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This commit is contained in:
Ray Speth 2012-09-06 19:58:55 +00:00
parent 5a722f9608
commit 6b34150a6c
2 changed files with 25 additions and 0 deletions
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3
interfaces/cython/cantera/_cantera.pxd
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@ -152,6 +152,9 @@ cdef extern from "cantera/thermo/SurfPhase.h":
CxxSurfPhase()
double siteDensity()
void setSiteDensity(double)
void setCoverages(double*) except +
void getCoverages(double*) except +
cdef extern from "cantera/kinetics/Kinetics.h" namespace "Cantera":
cdef cppclass CxxKinetics "Cantera::Kinetics":

22
interfaces/cython/cantera/thermo.pyx
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@ -685,6 +685,7 @@ cdef class ThermoPhase(_SolutionBase):
cdef class InterfacePhase(ThermoPhase):
""" A class representing a surface or edge phase"""
cdef CxxSurfPhase* surf
def __cinit__(self, *args, **kwargs):
if self.thermo.eosType() not in (thermo_type_surf, thermo_type_edge):
@ -692,11 +693,32 @@ cdef class InterfacePhase(ThermoPhase):
self.surf = <CxxSurfPhase*>(self.thermo)
property siteDensity:
"""
Get/Set the site density. [kmol/m^2] for surface phases; [kmol/m] for
edge phases.
"""
def __get__(self):
return self.surf.siteDensity()
def __set__(self, double value):
self.surf.setSiteDensity(value)
property coverages:
"""Get/Set the fraction of sites covered by each species."""
def __get__(self):
cdef np.ndarray[np.double_t, ndim=1] data = np.empty(self.nSpecies)
self.surf.getCoverages(&data[0])
if self._selectedSpecies.size:
return data[self._selectedSpecies]
else:
return data
def __set__(self, theta):
if len(theta) != self.nSpecies:
raise ValueError("Array has incorrect length")
cdef np.ndarray[np.double_t, ndim=1] data = \
np.ascontiguousarray(theta, dtype=np.double)
self.surf.setCoverages(&data[0])
cdef class PureFluid(ThermoPhase):
property critTemperature: