From 4b8ea080867a85c5a353e3e1af15e27deb419875 Mon Sep 17 00:00:00 2001 From: Max Linke Date: Sat, 4 Feb 2017 09:33:52 +0100 Subject: [PATCH] update tests to new kwargs --- testsuite/MDAnalysisTests/analysis/test_encore.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/testsuite/MDAnalysisTests/analysis/test_encore.py b/testsuite/MDAnalysisTests/analysis/test_encore.py index 3c0dac3b286..d6b56dabad3 100644 --- a/testsuite/MDAnalysisTests/analysis/test_encore.py +++ b/testsuite/MDAnalysisTests/analysis/test_encore.py @@ -159,7 +159,7 @@ def test_rmsd_matrix_with_superimposition(self): encore.confdistmatrix.set_rmsd_matrix_elements, selection="name CA", pairwise_align=True, - mass_weighted=True, + weights='mass', n_jobs=1) reference = rms.RMSD(self.ens1, select = "name CA") @@ -182,7 +182,7 @@ def test_rmsd_matrix_without_superimposition(self): encore.confdistmatrix.set_rmsd_matrix_elements, selection=selection_string, pairwise_align=False, - mass_weighted=True, + weights='mass', n_jobs=1) print (repr(confdist_matrix.as_array()[0,:]))