removed superfluous functions from eoses

Author: bobmyhill

burnman/classes/mineral.py

@@ -213,6 +213,7 @@ def _delta_volume(pressure, volume, temperature):
             self.set_state(
                 self.method.pressure(temperature, volume, self.params), temperature
             )
+        self._cached["_molar_volume_unmodified"] = volume
 
     """
     Properties from equations of state
@@ -430,7 +431,7 @@ def grueneisen_parameter(self):
             and (np.abs(self._property_modifiers["dGdP"]) < eps)
             and (np.abs(self._property_modifiers["d2GdT2"]) < eps)
         ):
-            return self.method.grueneisen_parameter(
+            return self.method._grueneisen_parameter(
                 self.pressure, self.temperature, self.molar_volume, self.params
             )
         else:

burnman/eos/birch_murnaghan.py

@@ -136,12 +136,6 @@ def isothermal_bulk_modulus_reuss(self, pressure, temperature, volume, params):
         """
         return bulk_modulus(volume, params)
 
-    def isentropic_bulk_modulus_reuss(self, pressure, temperature, volume, params):
-        """
-        Returns adiabatic bulk modulus :math:`K_s` of the mineral. :math:`[Pa]`.
-        """
-        return bulk_modulus(volume, params)
-
     def shear_modulus(self, pressure, temperature, volume, params):
         """
         Returns shear modulus :math:`G` of the mineral. :math:`[Pa]`
@@ -157,7 +151,7 @@ def entropy(self, pressure, temperature, volume, params):
         """
         return 0.0
 
-    def molar_internal_energy(self, pressure, temperature, volume, params):
+    def _molar_internal_energy(self, pressure, temperature, volume, params):
         """
         Returns the internal energy :math:`\\mathcal{E}` of the mineral. :math:`[J/mol]`
         """
@@ -189,16 +183,10 @@ def gibbs_free_energy(self, pressure, temperature, volume, params):
         # G = int VdP = [PV] - int PdV = E + PV
 
         return (
-            self.molar_internal_energy(pressure, temperature, volume, params)
+            self._molar_internal_energy(pressure, temperature, volume, params)
             + volume * pressure
         )
 
-    def molar_heat_capacity_v(self, pressure, temperature, volume, params):
-        """
-        Since this equation of state does not contain temperature effects, simply return a very large number. :math:`[J/K/mol]`
-        """
-        return 1.0e99
-
     def molar_heat_capacity_p(self, pressure, temperature, volume, params):
         """
         Since this equation of state does not contain temperature effects, simply return a very large number. :math:`[J/K/mol]`
@@ -211,7 +199,7 @@ def thermal_expansivity(self, pressure, temperature, volume, params):
         """
         return 0.0
 
-    def grueneisen_parameter(self, pressure, temperature, volume, params):
+    def _grueneisen_parameter(self, pressure, temperature, volume, params):
         """
         Since this equation of state does not contain temperature effects, simply return zero. :math:`[unitless]`
         """

burnman/eos/birch_murnaghan_4th.py

@@ -124,12 +124,6 @@ def isothermal_bulk_modulus_reuss(self, pressure, temperature, volume, params):
         """
         return bulk_modulus_fourth(volume, params)
 
-    def isentropic_bulk_modulus_reuss(self, pressure, temperature, volume, params):
-        """
-        Returns adiabatic bulk modulus :math:`K_s` of the mineral. :math:`[Pa]`.
-        """
-        return bulk_modulus_fourth(volume, params)
-
     def shear_modulus(self, pressure, temperature, volume, params):
         """
         Returns shear modulus :math:`G` of the mineral. :math:`[Pa]`
@@ -142,7 +136,7 @@ def entropy(self, pressure, temperature, volume, params):
         """
         return 0.0
 
-    def molar_internal_energy(self, pressure, temperature, volume, params):
+    def _molar_internal_energy(self, pressure, temperature, volume, params):
         """
         Returns the internal energy :math:`\\mathcal{E}` of the mineral. :math:`[J/mol]`
         """
@@ -184,16 +178,10 @@ def gibbs_free_energy(self, pressure, temperature, volume, params):
         # G = int VdP = [PV] - int PdV = E + PV
 
         return (
-            self.molar_internal_energy(pressure, temperature, volume, params)
+            self._molar_internal_energy(pressure, temperature, volume, params)
             + volume * pressure
         )
 
-    def molar_heat_capacity_v(self, pressure, temperature, volume, params):
-        """
-        Since this equation of state does not contain temperature effects, simply return a very large number. :math:`[J/K/mol]`
-        """
-        return 1.0e99
-
     def molar_heat_capacity_p(self, pressure, temperature, volume, params):
         """
         Since this equation of state does not contain temperature effects, simply return a very large number. :math:`[J/K/mol]`
@@ -206,7 +194,7 @@ def thermal_expansivity(self, pressure, temperature, volume, params):
         """
         return 0.0
 
-    def grueneisen_parameter(self, pressure, temperature, volume, params):
+    def _grueneisen_parameter(self, pressure, temperature, volume, params):
         """
         Since this equation of state does not contain temperature effects, simply return zero. :math:`[unitless]`
         """

burnman/eos/brosh_calphad.py

@@ -103,40 +103,12 @@ def isothermal_bulk_modulus_reuss(self, pressure, temperature, volume, params):
 
         return -volume * dP / dV
 
-    def isentropic_bulk_modulus_reuss(self, pressure, temperature, volume, params):
-        """
-        Returns the adiabatic bulk modulus of the mineral. :math:`[Pa]`.
-        """
-        if temperature < 1.0e-10:
-            return self.isothermal_bulk_modulus_reuss(
-                pressure, temperature, volume, params
-            )
-        else:
-            return (
-                self.isothermal_bulk_modulus_reuss(
-                    pressure, temperature, volume, params
-                )
-                * self.molar_heat_capacity_p(pressure, temperature, volume, params)
-                / self.molar_heat_capacity_v(pressure, temperature, volume, params)
-            )
-
     def shear_modulus(self, pressure, temperature, volume, params):
         """
         Returns the shear modulus :math:`G` of the mineral. :math:`[Pa]`
         """
         return 0.0
 
-    def molar_internal_energy(self, pressure, temperature, volume, params):
-        """
-        Returns the internal energy of the mineral. :math:`[J/mol]`
-        """
-
-        return (
-            self.gibbs_free_energy(pressure, temperature, volume, params)
-            - pressure * self.volume(pressure, temperature, params)
-            + temperature * self.entropy(pressure, temperature, volume, params)
-        )
-
     def _Cp_1bar(self, temperature, params):
         # first, identify which of the piecewise segments we're in
         i = np.argmax(
@@ -398,7 +370,7 @@ def thermal_expansivity(self, pressure, temperature, volume, params):
             )
             return dV / dT / volume
 
-    def grueneisen_parameter(self, pressure, temperature, volume, params):
+    def _grueneisen_parameter(self, pressure, temperature, volume, params):
         """
         Returns the grueneisen parameter.
         This is a dependent thermodynamic variable in this equation of state.

burnman/eos/cork.py

@@ -43,16 +43,6 @@ class CORK(eos.EquationOfState):
     the saturation curve.
     """
 
-    def grueneisen_parameter(self, pressure, temperature, volume, params):
-        """
-        Returns grueneisen parameter [unitless] as a function of pressure,
-        temperature, and volume.
-        """
-        alpha = self.thermal_expansivity(pressure, temperature, volume, params)
-        K_T = self.isothermal_bulk_modulus_reuss(pressure, temperature, volume, params)
-        C_V = self.molar_heat_capacity_v(pressure, temperature, volume, params)
-        return alpha * K_T * volume / C_V
-
     def volume(self, pressure, temperature, params):
         """
         Returns volume [m^3] as a function of pressure [Pa] and temperature [K]
@@ -111,17 +101,6 @@ def shear_modulus(self, pressure, temperature, volume, params):
         """
         return 0.0
 
-    # Cv, heat capacity at constant volume
-    def molar_heat_capacity_v(self, pressure, temperature, volume, params):
-        """
-        Returns heat capacity at constant volume at the pressure, temperature, and volume [J/K/mol].
-        """
-        C_p = self.molar_heat_capacity_p(pressure, temperature, volume, params)
-        V = self.volume(pressure, temperature, params)
-        alpha = self.thermal_expansivity(pressure, temperature, volume, params)
-        K_T = self.isothermal_bulk_modulus_reuss(pressure, temperature, volume, params)
-        return C_p - V * temperature * alpha * alpha * K_T
-
     def thermal_expansivity(self, pressure, temperature, volume, params):
         """
         Returns thermal expansivity at the pressure, temperature, and volume [1/K]
@@ -150,7 +129,7 @@ def thermal_expansivity(self, pressure, temperature, volume, params):
         return dVdT / volume
 
     # Heat capacity at ambient pressure
-    def molar_heat_capacity_p0(self, temperature, params):
+    def _molar_heat_capacity_p0(self, temperature, params):
         """
         Returns heat capacity at ambient pressure as a function of temperature [J/K/mol]
         Cp = a + bT + cT^-2 + dT^-0.5 in Holland and Powell, 2011
@@ -167,10 +146,9 @@ def molar_heat_capacity_p(self, pressure, temperature, volume, params):
         """
         Returns heat capacity at constant pressure at the pressure, temperature, and volume [J/K/mol]
         """
-        T_0 = params["T_0"]
         P_relative = pressure - params["P_0"]
 
-        Cp0 = self.molar_heat_capacity_p0(temperature, params)
+        Cp0 = self._molar_heat_capacity_p0(temperature, params)
 
         if params["cork_T"] == 0:
             d2RTlnfdTdT = 0.0
@@ -215,17 +193,6 @@ def molar_heat_capacity_p(self, pressure, temperature, volume, params):
 
         return Cp0 - temperature * d2RTlnfdTdT
 
-    def isentropic_bulk_modulus_reuss(self, pressure, temperature, volume, params):
-        """
-        Returns adiabatic bulk modulus [Pa] as a function of pressure [Pa],
-        temperature [K], and volume [m^3].
-        """
-        K_T = self.isothermal_bulk_modulus_reuss(pressure, temperature, volume, params)
-        C_p = self.molar_heat_capacity_p(pressure, temperature, volume, params)
-        C_v = self.molar_heat_capacity_v(pressure, temperature, volume, params)
-        K_S = K_T * C_p / C_v
-        return K_S
-
     def gibbs_free_energy(self, pressure, temperature, volume, params):
         """
         Returns the gibbs free energy [J/mol] as a function of pressure [Pa]
@@ -348,26 +315,6 @@ def entropy(self, pressure, temperature, volume, params):
 
         return params["S_0"] + intCpoverTdT - dRTlnfdT
 
-    def helmholtz_free_energy(self, pressure, temperature, volume, params):
-        return self.gibbs_free_energy(
-            pressure, temperature, volume, params
-        ) - pressure * self.volume(pressure, temperature, params)
-
-    def enthalpy(self, pressure, temperature, volume, params):
-        """
-        Returns the enthalpy [J/mol] as a function of pressure [Pa]
-        and temperature [K].
-        """
-        gibbs = self.gibbs_free_energy(pressure, temperature, volume, params)
-        entropy = self.entropy(pressure, temperature, volume, params)
-        return gibbs + temperature * entropy
-
-    def pressure(self, temperature, volume, params):
-        """
-        Returns pressure [Pa] as a function of temperature [K] and volume[m^3]
-        """
-        return NotImplementedError("")
-
     def validate_parameters(self, params):
         """
         Check for existence and validity of the parameters
@@ -414,7 +361,7 @@ def validate_parameters(self, params):
         if params["cork_P"] < 1.0e4 or params["cork_P"] > 1.0e8:
             warnings.warn("Unusual value for cork_P", stacklevel=2)
 
-        if self.molar_heat_capacity_p0(params["T_0"], params) < 0.0:
+        if self._molar_heat_capacity_p0(params["T_0"], params) < 0.0:
             warnings.warn("Negative heat capacity at T_0", stacklevel=2)
-        if self.molar_heat_capacity_p0(2000.0, params) < 0.0:
+        if self._molar_heat_capacity_p0(2000.0, params) < 0.0:
             warnings.warn("Negative heat capacity at 2000K", stacklevel=2)