Merge pull request #638 from bobmyhill/rm_funcs

Remove duplicate EoS functions

Author: bobmyhill

.github/workflows/coverage.yml

@@ -32,17 +32,17 @@ jobs:
 
     - name: Check coverage change
       run: |
-        python -m pip install git+https://github.com/geodynamics/burnman@main
-        mkdir main_tests
-        cd main_tests
+        mkdir main
+        cd main
         git clone https://github.com/geodynamics/burnman
-        cp burnman/tests/*.py .
-        rm -fr burnman
-        cd ../
-        coverage run -m unittest discover ./main_tests
+        cd burnman
+        git status
+        python -m pip install -e .[dev]
+        coverage run -m unittest discover ./tests
         coverage report > main_coverage.tmp
         main_coverage=$(coverage report --precision=7 --format=total)
-        rm -fr main_tests
+        cd ../..
+        rm -fr main
         python -m pip install -q -e .[dev]
         coverage run -m unittest discover ./tests
         coverage report > new_coverage.tmp

burnman/calibrants/Dorogokupets_2007.py

@@ -367,25 +367,23 @@ def _F_th(temperature, x, params):
     return F_qh + F_anh + F_el + F_def
 
 
-def _helmholtz_energy(volume, temperature, params):
-    # Equation 6
-    E = do_cold_eos.molar_internal_energy(0.0, 0.0, volume, params)
-
+def _thermal_helmholtz_energy(volume, temperature, params):
     # Just after Equation 6b
     Vrel = volume / params["V_0"]
     Fth = _F_th(temperature, Vrel, params)
     Fth0 = _F_th(params["T_0"], Vrel, params)
 
     # Equation 5
-    return E + gas_constant * (Fth - Fth0)
+    return gas_constant * (Fth - Fth0)
 
 
 def _pressure(volume, temperature, params):
+    cold_pressure = do_cold_eos.pressure(temperature, volume, params)
     dV = params["V_0"] * 1.0e-7
 
-    F1 = _helmholtz_energy(volume + dV / 2.0, temperature, params)
-    F0 = _helmholtz_energy(volume - dV / 2.0, temperature, params)
-    return -(F1 - F0) / dV
+    F1 = _thermal_helmholtz_energy(volume + dV / 2.0, temperature, params)
+    F0 = _thermal_helmholtz_energy(volume - dV / 2.0, temperature, params)
+    return cold_pressure - (F1 - F0) / dV
 
 
 class Ag(Calibrant):

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: