"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "test_suite/system_tests/n_state_model.py" between
relax-4.1.3.src.tar.bz2 and relax-5.0.0.src.tar.bz2

About: relax allows the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported.

n_state_model.py  (relax-4.1.3.src.tar.bz2):n_state_model.py  (relax-5.0.0.src.tar.bz2)
skipping to change at line 1100 skipping to change at line 1100
for i in range(len(A_5D)): for i in range(len(A_5D)):
self.assertAlmostEqual(cdp.align_tensors[i].Axx, A_5D[i][0], 5) self.assertAlmostEqual(cdp.align_tensors[i].Axx, A_5D[i][0], 5)
self.assertAlmostEqual(cdp.align_tensors[i].Ayy, A_5D[i][1], 5) self.assertAlmostEqual(cdp.align_tensors[i].Ayy, A_5D[i][1], 5)
self.assertAlmostEqual(cdp.align_tensors[i].Axy, A_5D[i][2], 5) self.assertAlmostEqual(cdp.align_tensors[i].Axy, A_5D[i][2], 5)
self.assertAlmostEqual(cdp.align_tensors[i].Axz, A_5D[i][3], 5) self.assertAlmostEqual(cdp.align_tensors[i].Axz, A_5D[i][3], 5)
self.assertAlmostEqual(cdp.align_tensors[i].Ayz, A_5D[i][4], 5) self.assertAlmostEqual(cdp.align_tensors[i].Ayz, A_5D[i][4], 5)
# Check the populations. # Check the populations.
self.assertEqual(len(cdp.probs), 3) self.assertEqual(len(cdp.probs), 3)
self.assertAlmostEqual(cdp.probs[0], 0.3, 3) self.assertAlmostEqual(cdp.probs[0], 0.3, 3)
self.assertAlmostEqual(cdp.probs[1], 0.6, 3) self.assertAlmostEqual(cdp.probs[1], 0.6, 2)
self.assertAlmostEqual(cdp.probs[2], 0.1, 3) self.assertAlmostEqual(cdp.probs[2], 0.1, 2)
# Test the optimised values. # Test the optimised values.
self.assertAlmostEqual(cdp.chi2, 0.0, 2) self.assertAlmostEqual(cdp.chi2, 0.0, 2)
self.assertAlmostEqual(cdp.q_rdc_norm_tensor_size, 0.0, 2) self.assertAlmostEqual(cdp.q_rdc_norm_tensor_size, 0.0, 2)
self.assertAlmostEqual(cdp.q_pcs_norm_squared_sum, 0.0, 1) self.assertAlmostEqual(cdp.q_pcs_norm_squared_sum, 0.0, 1)
def test_vector_loading1(self): def test_vector_loading1(self):
"""Test the loading of inter-atomic vectors in the 'population' N-state model.""" """Test the loading of inter-atomic vectors in the 'population' N-state model."""
# Order. # Order.
 End of changes. 1 change blocks. 
2 lines changed or deleted 2 lines changed or added

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