From 4459ac9661222596af85281bec812cd0d3dc4cbc Mon Sep 17 00:00:00 2001 From: James Krieger Date: Wed, 30 Oct 2024 09:24:03 +0000 Subject: [PATCH] relax test atol --- prody/tests/dynamics/test_anmd.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/prody/tests/dynamics/test_anmd.py b/prody/tests/dynamics/test_anmd.py index f6b8dbc4a..25f499c96 100644 --- a/prody/tests/dynamics/test_anmd.py +++ b/prody/tests/dynamics/test_anmd.py @@ -64,7 +64,7 @@ def testResults(self): ens1.setCoords(ens1.getCoordsets()[2]) assert_allclose(ens1.getRMSDs(), ENSEMBLE.getRMSDs(), - rtol=1e-10, atol=0.1, # may not be so close + rtol=1e-10, atol=0.2, # may not be so close err_msg='runANMD with default parameters failed to give expected RMSDs') def testResultsNumModes1(self): @@ -80,7 +80,7 @@ def testResultsNumModes1(self): ens1.setCoords(ens1.getCoordsets()[2]) assert_allclose(ens1.getRMSDs(), ENSEMBLE.getRMSDs(), - rtol=1e-10, atol=0.1, # may not be so close + rtol=1e-10, atol=0.2, # may not be so close err_msg='runANMD with num_modes=1 failed to give expected RMSDs') if __name__ == '__main__':