Added partial molar / non-dimensional thermo properties

This commit is contained in:
Ray Speth 2012-09-06 19:57:38 +00:00
parent b070605bec
commit e9b49e3bb0
3 changed files with 61 additions and 0 deletions

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@ -120,6 +120,13 @@ cdef extern from "wrappers.h":
cdef void thermo_getPartialMolarCp(CxxThermoPhase*, double*) except +
cdef void thermo_getPartialMolarVolumes(CxxThermoPhase*, double*) except +
# ThermoPhase partial non-dimensional properties
void thermo_getEnthalpy_RT(CxxThermoPhase*, double*) except +
void thermo_getEntropy_R(CxxThermoPhase*, double*) except +
void thermo_getIntEnergy_RT(CxxThermoPhase*, double*) except +
void thermo_getGibbs_RT(CxxThermoPhase*, double*) except +
void thermo_getCp_R(CxxThermoPhase*, double*) except +
# other ThermoPhase methods
cdef void thermo_getMolecularWeights(CxxThermoPhase*, double*) except +

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@ -323,6 +323,55 @@ cdef class ThermoPhase(_SolutionBase):
self.Y = values[2]
self.SP = values[:2]
# partial molar / non-dimensional properties
property partial_molar_enthalpies:
def __get__(self):
return self._getArray1(thermo_getPartialMolarEnthalpies)
property partial_molar_entropies:
def __get__(self):
return self._getArray1(thermo_getPartialMolarEntropies)
property partial_molar_int_energies:
def __get__(self):
return self._getArray1(thermo_getPartialMolarIntEnergies)
property chem_potentials:
def __get__(self):
return self._getArray1(thermo_getChemPotentials)
property electrochem_potentials:
def __get__(self):
return self._getArray1(thermo_getElectrochemPotentials)
property partial_molar_cp:
def __get__(self):
return self._getArray1(thermo_getPartialMolarCp)
property partial_molar_volumes:
def __get__(self):
return self._getArray1(thermo_getPartialMolarVolumes)
property standard_enthalpies_RT:
def __get__(self):
return self._getArray1(thermo_getEnthalpy_RT)
property standard_entropies_R:
def __get__(self):
return self._getArray1(thermo_getEntropy_R)
property standard_intEnergies_RT:
def __get__(self):
return self._getArray1(thermo_getIntEnergy_RT)
property standard_gibbs_RT:
def __get__(self):
return self._getArray1(thermo_getGibbs_RT)
property standard_cp_R:
def __get__(self):
return self._getArray1(thermo_getCp_R)
cdef class InterfacePhase(ThermoPhase):
cdef CxxSurfPhase* surf

View file

@ -21,3 +21,8 @@ THERMO_1D(getPartialMolarEntropies)
THERMO_1D(getPartialMolarIntEnergies)
THERMO_1D(getPartialMolarCp)
THERMO_1D(getPartialMolarVolumes)
THERMO_1D(getEnthalpy_RT)
THERMO_1D(getEntropy_R)
THERMO_1D(getIntEnergy_RT)
THERMO_1D(getGibbs_RT)
THERMO_1D(getCp_R)