Beispiel #1
0
def test_atomic_weight():
    feq_(atomic_weight('H'), 1.00794)
    npeq_(atomic_weight(['O', 'H', 'H']), [15.9994, 1.00794, 1.00794])
Beispiel #2
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def test_vdw_radius():
    feq_(vdw_radius('H'), 0.11)
    npeq_(vdw_radius(['O', 'H', 'H']), [0.152, 0.11, 0.11])
Beispiel #3
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def test_vdw_radius():
    feq_(vdw_radius('H'), 0.11)
    npeq_(vdw_radius(['O', 'H', 'H']), [0.152, 0.11, 0.11])
Beispiel #4
0
def test_atomic_weight():
    feq_(atomic_weight('H'), 1.00794)
    npeq_(atomic_weight(['O', 'H', 'H']), [15.9994, 1.00794, 1.00794])