def test_from_dict(): pm = ParameterHelper( species=["O", "C", "H"], kernels=["twobody", "threebody"], allseparate=True, random=True, parameters={"cutoff_twobody": 7, "cutoff_threebody": 4.5, "cutoff_manybody": 3}, verbose="debug", ) hm = pm.as_dict() Parameters.check_instantiation(hm["hyps"], hm["cutoffs"], hm["kernels"], hm) pm1 = ParameterHelper.from_dict(hm, verbose="debug", init_spec=["O", "C", "H"]) hm1 = pm1.as_dict() Parameters.compare_dict(hm, hm1)
def test_from_dict(): pm = ParameterHelper(species=['O', 'C', 'H'], kernels=['twobody', 'threebody'], allseparate=True, random=True, parameters={'cutoff_twobody': 7, 'cutoff_threebody': 4.5, 'cutoff_manybody': 3}, verbose="debug") hm = pm.as_dict() Parameters.check_instantiation( hm['hyps'], hm['cutoffs'], hm['kernels'], hm) pm1 = ParameterHelper.from_dict( hm, verbose="debug", init_spec=['O', 'C', 'H']) hm1 = pm1.as_dict() Parameters.compare_dict(hm, hm1)