Open dylanwal opened 2 years ago
I am creating two materials, with the first material (water) being passed as a Condition into the THF Property.
Condition
Property
The issue material=water should be accepted.
material=water
import cript as c def make_material(project: c.Project): water = c.Material( project=project, group=project.group, name="water", identifiers=[ c.Identifier("preferred_name", "water"), c.Identifier("names", ["h2o", "dihydrogen oxide"]), c.Identifier("cas", "7732-18-5"), c.Identifier("smiles", "O"), c.Identifier("chem_formula", "H2O"), c.Identifier("pubchem_cid", 962), c.Identifier("inchi_key", "XLYOFNOQVPJJNP-UHFFFAOYSA-N"), ], properties=[ c.Property(key="phase", value="liquid"), c.Property(key="color", value="colorless"), c.Property( key="molar_mass", value=18.015, unit="g/mol", method="prescribed" ), ], ) water.save() thf = c.Material( project=project, group=project.group, name="thf", identifiers=[ c.Identifier("preferred_name", "tetrahydrofuran"), c.Identifier( "names", [ "oxolane", "1,4-epoxybutane", "oxacyclopentane", "THF", "butylene oxide", "cyclotetramethylene oxide", ], ), c.Identifier("cas", "109-99-9"), c.Identifier("smiles", "C1CCOC1"), c.Identifier("chem_formula", "C4H8O"), c.Identifier("pubchem_cid", 8028), c.Identifier("inchi_key", "WYURNTSHIVDZCO-UHFFFAOYSA-N"), ], properties=[ c.Property(key="phase", value="liquid"), c.Property( key="solubility", value=1, unit="g/ml", conditions=[ c.Condition(key="temperature", value=20, unit="degC"), c.Condition(key="material", material=water), ], ), ], ) thf.save() def main(): # API login import pathlib host = "criptapp.org" with open(str(pathlib.Path(__file__).parent.parent) + "\\api_key.txt", "r") as f: token = f.read() api = c.API(host, token) # make material project = c.Project.get(name="test_sdk_project") make_material(project) if __name__ == "__main__": main()
I am creating two materials, with the first material (water) being passed as a
Condition
into the THFProperty
.The issue
material=water
should be accepted.