Added partial molar / non-dimensional thermo properties
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3 changed files with 61 additions and 0 deletions
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@ -120,6 +120,13 @@ cdef extern from "wrappers.h":
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cdef void thermo_getPartialMolarCp(CxxThermoPhase*, double*) except +
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cdef void thermo_getPartialMolarVolumes(CxxThermoPhase*, double*) except +
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# ThermoPhase partial non-dimensional properties
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void thermo_getEnthalpy_RT(CxxThermoPhase*, double*) except +
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void thermo_getEntropy_R(CxxThermoPhase*, double*) except +
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void thermo_getIntEnergy_RT(CxxThermoPhase*, double*) except +
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void thermo_getGibbs_RT(CxxThermoPhase*, double*) except +
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void thermo_getCp_R(CxxThermoPhase*, double*) except +
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# other ThermoPhase methods
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cdef void thermo_getMolecularWeights(CxxThermoPhase*, double*) except +
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@ -323,6 +323,55 @@ cdef class ThermoPhase(_SolutionBase):
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self.Y = values[2]
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self.SP = values[:2]
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# partial molar / non-dimensional properties
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property partial_molar_enthalpies:
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def __get__(self):
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return self._getArray1(thermo_getPartialMolarEnthalpies)
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property partial_molar_entropies:
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def __get__(self):
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return self._getArray1(thermo_getPartialMolarEntropies)
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property partial_molar_int_energies:
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def __get__(self):
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return self._getArray1(thermo_getPartialMolarIntEnergies)
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property chem_potentials:
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def __get__(self):
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return self._getArray1(thermo_getChemPotentials)
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property electrochem_potentials:
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def __get__(self):
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return self._getArray1(thermo_getElectrochemPotentials)
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property partial_molar_cp:
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def __get__(self):
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return self._getArray1(thermo_getPartialMolarCp)
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property partial_molar_volumes:
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def __get__(self):
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return self._getArray1(thermo_getPartialMolarVolumes)
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property standard_enthalpies_RT:
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def __get__(self):
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return self._getArray1(thermo_getEnthalpy_RT)
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property standard_entropies_R:
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def __get__(self):
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return self._getArray1(thermo_getEntropy_R)
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property standard_intEnergies_RT:
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def __get__(self):
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return self._getArray1(thermo_getIntEnergy_RT)
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property standard_gibbs_RT:
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def __get__(self):
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return self._getArray1(thermo_getGibbs_RT)
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property standard_cp_R:
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def __get__(self):
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return self._getArray1(thermo_getCp_R)
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cdef class InterfacePhase(ThermoPhase):
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cdef CxxSurfPhase* surf
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@ -21,3 +21,8 @@ THERMO_1D(getPartialMolarEntropies)
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THERMO_1D(getPartialMolarIntEnergies)
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THERMO_1D(getPartialMolarCp)
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THERMO_1D(getPartialMolarVolumes)
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THERMO_1D(getEnthalpy_RT)
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THERMO_1D(getEntropy_R)
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THERMO_1D(getIntEnergy_RT)
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THERMO_1D(getGibbs_RT)
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THERMO_1D(getCp_R)
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