update example

geodynamics · Dec 17, 2023 · 5b38421 · 5b38421
1 parent a020126
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Showing 2 changed files with 9 additions and 4 deletions.
diff --git a/examples/example_equilibrate.py b/examples/example_equilibrate.py
@@ -196,18 +196,18 @@
  }
  sols, prm = equilibrate(composition, assemblage, equality_constraints)
  # We know that we've made a simpler orthopyroxene solution.
- # In this case, the endmembers are either the same, and the names
- # have just been appended with "in child solution", or
+ # In this case, the endmembers are either the same, or
  # the processing has created an anti-ordered endmember.
  # We get the index of the ordered/anti-ordered endmember here.
  try:
  idx = prm.parameter_names.index(
- "p(ordered ferroenstatite " "in child solution)"
+ "p(ordered ferroenstatite in orthopyroxene (CFMASCrO) (transformed))"
  )
  p_fms = np.array([sol.x[idx] for sol in sols if sol.success])
  except ValueError:
+ print(prm.parameter_names)
  idx = prm.parameter_names.index(
- "p(User-created endmember " "in child solution)"
+ "p(Derived member (occupancies: [Mg][Fe][Si]1/2) in orthopyroxene (CFMASCrO) (transformed))"
  )
  p_fms = np.array([-sol.x[idx] for sol in sols if sol.success])
 

diff --git a/misc/ref/example_equilibrate.py.out b/misc/ref/example_equilibrate.py.out
@@ -1,4 +1,9 @@
 invariant point found at 0.43 GPa, 809.34 K
+['Pressure (Pa)', 'Temperature (K)', 'x(orthopyroxene (CFMASCrO) (transformed))', 'p(en in orthopyroxene (CFMASCrO) (transformed))', 'p(Derived member (occupancies: [Mg][Fe][Si]1/2) in orthopyroxene (CFMASCrO) (transformed))']
+['Pressure (Pa)', 'Temperature (K)', 'x(orthopyroxene (CFMASCrO) (transformed))', 'p(en in orthopyroxene (CFMASCrO) (transformed))', 'p(Derived member (occupancies: [Mg][Fe][Si]1/2) in orthopyroxene (CFMASCrO) (transformed))']
+['Pressure (Pa)', 'Temperature (K)', 'x(orthopyroxene (CFMASCrO) (transformed))', 'p(en in orthopyroxene (CFMASCrO) (transformed))', 'p(Derived member (occupancies: [Mg][Fe][Si]1/2) in orthopyroxene (CFMASCrO) (transformed))']
+['Pressure (Pa)', 'Temperature (K)', 'x(orthopyroxene (CFMASCrO) (transformed))', 'p(en in orthopyroxene (CFMASCrO) (transformed))', 'p(Derived member (occupancies: [Mg][Fe][Si]1/2) in orthopyroxene (CFMASCrO) (transformed))']
+['Pressure (Pa)', 'Temperature (K)', 'x(orthopyroxene (CFMASCrO) (transformed))', 'p(en in orthopyroxene (CFMASCrO) (transformed))', 'p(Derived member (occupancies: [Mg][Fe][Si]1/2) in orthopyroxene (CFMASCrO) (transformed))']
 Composite: Unnamed composite
  P, T: 1e+10 Pa, 1621 K
 Phase and endmember fractions: