SummaryRester.search does not support formulae for chemsys any longer?

[e-kwsm]

mp-api version: 0.37.5

According to the docstring of SummaryRester.search, chemsys argument may be formulae.

api/mp_api/client/routes/materials/summary.py

Lines 93 to 94 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-Fe-O, Si-*, [Si-O, Li-Fe-P]), or single formula (e.g., Fe2O3, Si*).

However it does not work—the following prints 0 26:

import warnings
from pymatgen.ext.matproj import MPRester

warnings.filterwarnings("ignore")

MP_API_KEY = ...  # key for new API
with MPRester(MP_API_KEY) as mpr:
    r_c = mpr.summary.search(chemsys="Fe2O3")
    r_f = mpr.summary.search(formula="Fe2O3")
    print(len(r_c), len(r_f))  # 0 26
    # chemical system works as expected
    r_c_cs = mpr.summary.search(chemsys="Fe-O")
    # print(len(r_c_cs))  # 136

Is the docstring outdated?

[munrojm]

Yes, it should specify that only formula will accept single formula entries.

[e-kwsm]

The same goes for the followings?

api/mp_api/client/routes/molecules/bonds.py

Lines 58 to 59 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).

api/mp_api/client/routes/molecules/molecules.py

Lines 122 to 123 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).

api/mp_api/client/routes/molecules/orbitals.py

Lines 87 to 88 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).

api/mp_api/client/routes/molecules/partial_charges.py

Lines 52 to 53 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).

api/mp_api/client/routes/molecules/partial_spins.py

Lines 52 to 53 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).

api/mp_api/client/routes/molecules/redox.py

Lines 60 to 61 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).

api/mp_api/client/routes/molecules/summary.py

Lines 54 to 55 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).

api/mp_api/client/routes/molecules/thermo.py

Lines 82 to 83 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).

api/mp_api/client/routes/molecules/vibrations.py

Lines 67 to 68 in 47fc608

	chemsys (str, List[str]): A chemical system, list of chemical systems
	(e.g., Li-C-O, [C-O-H-N, Li-N]), or single formula (e.g., C2 H4).