def from_dict(cls, d):
dec = PMGJSONDecoder()
return cls(dec.process_decoded(d["structure"]),
d["energy"], d["correction"],
dec.process_decoded(d.get("parameters", {})),
dec.process_decoded(d.get("data", {})),
entry_id=d.get("entry_id", None))
def from_dict(cls, d):
dec = PMGJSONDecoder()
return cls(d["composition"], d["energy"], d["correction"],
dec.process_decoded(d.get("parameters", {})),
dec.process_decoded(d.get("data", {})),
entry_id=d.get("entry_id", None),
attribute=d["attribute"] if "attribute" in d else None)
def from_dict(cls, d):
dec = PMGJSONDecoder()
return cls(dec.process_decoded(d["structure"]),
d["energy"], d["correction"],
dec.process_decoded(d.get("parameters", {})),
dec.process_decoded(d.get("data", {})),
entry_id=d.get("entry_id", None))
def test_to_from_dict(self):
self.mitparamset = MITVaspInputSet()
self.mithseparamset = MITHSEVaspInputSet()
self.paramset = MaterialsProjectVaspInputSet()
self.userparamset = MaterialsProjectVaspInputSet(
{'MAGMOM': {"Fe": 10, "S": -5, "Mn3+": 100}}
)
dec = PMGJSONDecoder()
d = self.mitparamset.to_dict
v = dec.process_decoded(d)
self.assertEqual(type(v), MITVaspInputSet)
d = self.mitggaparam.to_dict
v = dec.process_decoded(d)
self.assertEqual(type(v), MITGGAVaspInputSet)
d = self.mithseparamset.to_dict
v = dec.process_decoded(d)
self.assertEqual(type(v), MITHSEVaspInputSet)
d = self.paramset.to_dict
v = dec.process_decoded(d)
self.assertEqual(type(v), MaterialsProjectVaspInputSet)
d = self.userparamset.to_dict
v = dec.process_decoded(d)
self.assertEqual(type(v), MaterialsProjectVaspInputSet)
self.assertEqual(v.incar_settings["MAGMOM"],
{"Fe": 10, "S": -5, "Mn3+": 100})
def from_dict(cls, d):
from pymatgen.serializers.json_coders import PMGJSONDecoder
dec = PMGJSONDecoder()
reactants = [dec.process_decoded(e) for e in d["reactants"]]
products = [dec.process_decoded(e) for e in d["products"]]
return cls(reactants, products)
def from_dict(cls, d):
dec = PMGJSONDecoder()
return cls(d["composition"], d["energy"], d["correction"],
dec.process_decoded(d.get("parameters", {})),
dec.process_decoded(d.get("data", {})),
entry_id=d.get("entry_id", None),
attribute=d["attribute"] if "attribute" in d else None)
def from_dict(d):
dec = PMGJSONDecoder()
return ConversionElectrode(
dec.process_decoded(d["voltage_pairs"]),
dec.process_decoded(d["working_ion_entry"]),
Composition(d["initial_comp"]),
)
def from_dict(d):
dec = PMGJSONDecoder()
sub_d = {"optional_files": {}}
for k, v in d.items():
if k in ["INCAR", "POSCAR", "POTCAR", "KPOINTS"]:
sub_d[k.lower()] = dec.process_decoded(v)
elif k not in ["@module", "@class"]:
sub_d["optional_files"][k] = dec.process_decoded(v)
return VaspInput(**sub_d)
def from_dict(cls, d):
dec = PMGJSONDecoder()
working_ion_entry = dec.process_decoded(d["working_ion_entry"])
balanced_rxn = dec.process_decoded(d["balanced_rxn"])
entries_charge = dec.process_decoded(d["entries_charge"])
entries_discharge = dec.process_decoded(d["entries_discharge"])
return ConversionVoltagePair(balanced_rxn, d["voltage"], d["mAh"],
d["vol_charge"], d["vol_discharge"],
d["mass_charge"], d["mass_discharge"],
d["frac_charge"], d["frac_discharge"],
entries_charge, entries_discharge,
working_ion_entry)
def from_dict(cls, d):
dec = PMGJSONDecoder()
working_ion_entry = dec.process_decoded(d["working_ion_entry"])
balanced_rxn = dec.process_decoded(d["balanced_rxn"])
entries_charge = dec.process_decoded(d["entries_charge"])
entries_discharge = dec.process_decoded(d["entries_discharge"])
return ConversionVoltagePair(balanced_rxn, d["voltage"], d["mAh"],
d["vol_charge"], d["vol_discharge"],
d["mass_charge"], d["mass_discharge"],
d["frac_charge"], d["frac_discharge"],
entries_charge, entries_discharge,
working_ion_entry)
def from_dict(cls, d):
a = d["about"]
dec = PMGJSONDecoder()
created_at = dec.process_decoded(a.get("created_at"))
data = {k: v for k, v in d["about"].items()
if k.startswith("_")}
data = dec.process_decoded(data)
structure = Structure.from_dict(d) if "lattice" in d \
else Molecule.from_dict(d)
return cls(structure, a["authors"], projects=a.get("projects", None),
references=a.get("references", ""),
remarks=a.get("remarks", None), data=data,
history=a.get("history", None), created_at=created_at)
def from_dict(d):
dec = PMGJSONDecoder()
return ComputedEntry(d["composition"], d["energy"], d["correction"],
dec.process_decoded(d.get("parameters", {})),
dec.process_decoded(d.get("data", {})),
entry_id=d.get("entry_id", None))
def from_dict(cls, d):
from pymatgen.serializers.json_coders import PMGJSONDecoder
dec = PMGJSONDecoder()
return cls(dec.process_decoded(d["entries"]),
dec.process_decoded(d["working_ion_entry"]))
def from_dict(cls, d):
dec = PMGJSONDecoder()
entries = dec.process_decoded(d["original_entries"])
terminal_compositions = dec.process_decoded(d["terminal_compositions"])
return cls(entries, terminal_compositions,
d["normalize_terminal_compositions"])
def from_dict(cls, d):
dec = PMGJSONDecoder()
return cls(dec.process_decoded(d["voltage_pairs"]),
dec.process_decoded(d["working_ion_entry"]),
Composition(d["initial_comp"]))
def from_dict(cls, d):
from pymatgen.serializers.json_coders import PMGJSONDecoder
dec = PMGJSONDecoder()
return cls(dec.process_decoded(d["entries"]),
dec.process_decoded(d["working_ion_entry"]))
def from_dict(cls, d):
dec = PMGJSONDecoder()
return cls(dec.process_decoded(d["voltage_pairs"]),
dec.process_decoded(d["working_ion_entry"]),
Composition(d["initial_comp"]))
def from_dict(cls, d):
dec = PMGJSONDecoder()
entries = dec.process_decoded(d["original_entries"])
terminal_compositions = dec.process_decoded(d["terminal_compositions"])
return cls(entries, terminal_compositions,
d["normalize_terminal_compositions"])
def from_dict(cls, d):
from pymatgen.serializers.json_coders import PMGJSONDecoder
dec = PMGJSONDecoder()
reactants = [dec.process_decoded(e) for e in d["reactants"]]
products = [dec.process_decoded(e) for e in d["products"]]
return cls(reactants, products)
