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import unittest
import xraylib
class TestNISTCompounds(unittest.TestCase):
def test_good(self):
list = xraylib.GetCompoundDataNISTList()
self.assertEqual(len(list), 180)
for i, v in enumerate(list):
cdn = xraylib.GetCompoundDataNISTByIndex(i)
self.assertEqual(cdn['name'], v)
cdn = xraylib.GetCompoundDataNISTByName(v)
self.assertEqual(cdn['name'], v)
cdn = xraylib.GetCompoundDataNISTByIndex(5)
self.assertEqual(cdn['nElements'], 4)
self.assertEqual(cdn['density'], 0.001205)
self.assertEqual(cdn['Elements'], (6, 7, 8, 18))
self.assertAlmostEqual(cdn['massFractions'], (0.000124, 0.755267, 0.231781, 0.012827))
self.assertEqual(cdn['name'], 'Air, Dry (near sea level)')
cdn = xraylib.GetCompoundDataNISTByName('Air, Dry (near sea level)')
self.assertEqual(cdn['nElements'], 4)
self.assertEqual(cdn['density'], 0.001205)
self.assertEqual(cdn['Elements'], (6, 7, 8, 18))
self.assertAlmostEqual(cdn['massFractions'], (0.000124, 0.755267, 0.231781, 0.012827))
self.assertEqual(cdn['name'], 'Air, Dry (near sea level)')
def test_bad(self):
with self.assertRaises(ValueError):
xraylib.GetCompoundDataNISTByName("jwjfpfj")
with self.assertRaises(TypeError):
xraylib.GetCompoundDataNISTByName(0)
with self.assertRaises(ValueError):
xraylib.GetCompoundDataNISTByName(None)
with self.assertRaises(ValueError):
xraylib.GetCompoundDataNISTByIndex(-1)
with self.assertRaises(ValueError):
xraylib.GetCompoundDataNISTByIndex(180)
with self.assertRaises(TypeError):
xraylib.GetCompoundDataNISTByIndex(None)
with self.assertRaises(TypeError):
xraylib.GetCompoundDataNISTByIndex("jpwjfpfwj")
if __name__ == '__main__':
unittest.main(verbosity=2)
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