def contexts(request): if request.param: constants = qcelemental.PhysicalConstantsContext(request.param) context = request.param else: constants = qcelemental.constants context = constants.name if context == "CODATA2014": return (constants, "27.21138602", "10.18434/T4WW24", "uncertainty=0.000 000 17") elif context == "CODATA2018": return (constants, "27.211386245988", "", "uncertainty=0.000 000 000 053")
def test_codata2018(): with pytest.raises(KeyError) as e: qcelemental.PhysicalConstantsContext("CODATA2018") assert "only contexts {'CODATA2014', } are currently supported" in str(e)
""" Pinning point for QCElemental units """ # Pin Codata import qcelemental as qcel ureg = qcel.PhysicalConstantsContext("CODATA2014")
def constants2018(request): return qcelemental.PhysicalConstantsContext("CODATA2018")
def contexts(request): if request.param: return qcelemental.PhysicalConstantsContext(request.param) else: return qcelemental.constants