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locsmith / xcamshift

xcamshift - a port of the camshift chemical shift force-field for xplor-nih
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AssertionError in running test_suite.py #42

Open htal2 opened 10 years ago

htal2 commented 10 years ago

I also got the following assertion errors when running test_suite.py on my linux x86 64 machine (with python 2.6).

FAIL: test_calc_component_shift (test_xcamshift_afa.TestXcamshiftAFA)

Traceback (most recent call last): File "/import/bc2/home/guest/grzesiek/leung/CS/xcamshift/xcamshift/xcamshift/src/test/test_xcamshift_afa.py", line 230, in test_calc_component_shift self.assertAlmostEqual(component_shift, expected_shift, places=self.DEFAULT_DECIMAL_PLACES) AssertionError: -0.081736765801906586 != -0.081759999999999999 within 5 places

FAIL: test_ring_calculate_normals (test_xcamshift_afa.TestXcamshiftAFA)

Traceback (most recent call last): File "/import/bc2/home/guest/grzesiek/leung/CS/xcamshift/xcamshift/xcamshift/src/test/test_xcamshift_afa.py", line 196, in test_ring_calculate_normals self.assertListVec3AlmostEqual(ring_normals, expected, self.DEFAULT_DECIMAL_PLACES) File "/import/bc2/home/guest/grzesiek/leung/CS/xcamshift/xcamshift/xcamshift/src/test/test_xcamshift_afa.py", line 177, in assertListVec3AlmostEqual self.assertAlmostEqual(item1, item2, places) AssertionError: -1.3703159999999996 != -1.37097 within 5 places

FAIL: test_component_shifts_ring (test_xcamshift_agfa.TestXcamshiftAGFA)

Traceback (most recent call last): File "/import/bc2/home/guest/grzesiek/leung/CS/xcamshift/xcamshift/xcamshift/src/test/test_xcamshift_agfa.py", line 365, in test_component_shifts_ring self.assertAlmostEqual(expected_ring_shifts[expected_key], shift, places=self.DEFAULT_DECIMAL_PLACES - 1, msg=expected_key) AssertionError: 0.17460000000000001 != 0.17453745007514954 within 4 places : (('', 3, 'C'), (3, 'PHE', 6))