Update tests (new, stable entry for Na2FePO4F on new MP API)

doped/chemical_potentials.py

@@ -649,7 +649,7 @@ def get_MP_summary_docs(
  **kwargs,
  }
  else:
- assert chemsys is not None
+ assert chemsys is not None # typing
  summary_search_kwargs = {"chemsys": _get_all_chemsyses("-".join(chemsys)), **kwargs}
 
  with MPRester(api_key) as mpr:

tests/test_chemical_potentials.py

@@ -203,21 +203,22 @@ def test_unstable_host(self, api_key):
  with warnings.catch_warnings(record=True) as w:
  cp = chemical_potentials.CompetingPhases(**cp_settings)
  print([str(warning.message) for warning in w]) # for debugging
- assert len([warning for warning in w if "You are using" not in str(warning.message)]) == 1
- for sub_message in [
- "Note that the Materials Project (MP) database entry for Na2FePO4F is not stable with "
- "respect to competing phases, having an energy above hull of 0.1701 eV/atom.",
- "Formally, this means that the host material is unstable and so has no chemical "
- "potential limits; though in reality there may be errors in the MP energies",
- "Here we downshift the host compound entry to the convex hull energy, and then "
- "determine the possible competing phases with the same approach as usual",
- ]:
- print(sub_message)
- assert any(sub_message in str(warning.message) for warning in w)
+ if len(api_key) != 32: # recalculated energy for Na2FePO4F on new MP API, now on hull
+ assert len([warning for warning in w if "You are using" not in str(warning.message)]) == 1
+ for sub_message in [
+ "Note that the Materials Project (MP) database entry for Na2FePO4F is not stable with "
+ "respect to competing phases, having an energy above hull of 0.1701 eV/atom.",
+ "Formally, this means that the host material is unstable and so has no chemical "
+ "potential limits; though in reality there may be errors in the MP energies",
+ "Here we downshift the host compound entry to the convex hull energy, and then "
+ "determine the possible competing phases with the same approach as usual",
+ ]:
+ print(sub_message)
+ assert any(sub_message in str(warning.message) for warning in w)
  if cp_settings.get("full_phase_diagram"):
- assert len(cp.entries) == 128
+ assert len(cp.entries) in {128, 173} # legacy, new MP APIs
  else:
- assert len(cp.entries) == 50
+ assert len(cp.entries) in {50, 68} # legacy, new MP APIs
  self.check_O2_entry(cp)
 
  def test_unknown_host(self):