Пример #1
0
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")
Пример #2
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def test_codata2018():
    with pytest.raises(KeyError) as e:
        qcelemental.PhysicalConstantsContext("CODATA2018")

    assert "only contexts {'CODATA2014', } are currently supported" in str(e)
Пример #3
0
"""
Pinning point for QCElemental units
"""

# Pin Codata
import qcelemental as qcel
ureg = qcel.PhysicalConstantsContext("CODATA2014")
Пример #4
0
def constants2018(request):
    return qcelemental.PhysicalConstantsContext("CODATA2018")
Пример #5
0
def contexts(request):
    if request.param:
        return qcelemental.PhysicalConstantsContext(request.param)
    else:
        return qcelemental.constants