@@ -138,7 +138,6 @@ def test_parallel_calculation(self):
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arguments [i ][0 ]** 2 ,
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err_msg = "Unexpected results from ParallelCalculation" )
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- @pytest .mark .skip (reason = 'test to see if it times out' )
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def test_rmsd_matrix_with_superimposition (self , ens1 ):
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conf_dist_matrix = encore .confdistmatrix .conformational_distance_matrix (
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ens1 ,
@@ -156,7 +155,6 @@ def test_rmsd_matrix_with_superimposition(self, ens1):
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for i , rmsd in enumerate (reference .results .rmsd ):
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assert_allclose (conf_dist_matrix [0 , i ], rmsd [2 ], rtol = 0 , atol = 1.5e-3 , err_msg = err_msg )
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- @pytest .mark .skip (reason = 'test to see if it times out' )
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def test_rmsd_matrix_with_superimposition_custom_weights (self , ens1 ):
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conf_dist_matrix = encore .confdistmatrix .conformational_distance_matrix (
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ens1 ,
@@ -177,7 +175,6 @@ def test_rmsd_matrix_with_superimposition_custom_weights(self, ens1):
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for i in range (conf_dist_matrix_custom .size ):
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assert_allclose (conf_dist_matrix_custom [0 , i ], conf_dist_matrix [0 , i ], rtol = 0 , atol = 1.5e-7 )
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- @pytest .mark .skip (reason = 'test to see if it times out' )
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def test_rmsd_matrix_without_superimposition (self , ens1 ):
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selection_string = "name CA"
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selection = ens1 .select_atoms (selection_string )
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