From 1d91dbab93e1031e83ad0bbcd32c85860dabe3c9 Mon Sep 17 00:00:00 2001 From: Lee-Ping Wang Date: Sat, 23 Nov 2019 22:56:40 -0800 Subject: [PATCH] Tighten tolerances --- src/tests/test_system.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/tests/test_system.py b/src/tests/test_system.py index 48c000c70..c99466c53 100644 --- a/src/tests/test_system.py +++ b/src/tests/test_system.py @@ -22,8 +22,8 @@ # expected objective function from 003d evaluator bromine study. (updated 11/23/19) EXPECTED_EVALUATOR_BROMINE_OBJECTIVE = array([1000]) -# expected gradient elements from 003d evaluator bromine study. Very large uncertainties of +/- 2500 (updated 11/23/19) -EXPECTED_EVALUATOR_BROMINE_GRADIENT = array([4000, 4000]) +# expected gradient elements from 003d evaluator bromine study. Very large uncertainties of +/- 2000 (updated 11/23/19) +EXPECTED_EVALUATOR_BROMINE_GRADIENT = array([4500, 5500]) # expected result (pvals) taken from ethanol GB parameter optimization. Update this if it changes and seems reasonable (updated 09/05/14) EXPECTED_ETHANOL_RESULTS = array([1.2286e-01, 8.3624e-01, 1.0014e-01, 8.4533e-01, 1.8740e-01, 6.8820e-01, 1.4606e-01, 8.3518e-01]) @@ -206,7 +206,7 @@ def test_bromine_study(self): msgX="\nCalculated objective function is outside expected range.\n If this seems reasonable, update EXPECTED_EVALUATOR_BROMINE_OBJECTIVE in test_system.py with these values" np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_OBJECTIVE, X, atol=60, err_msg=msgX) msgG="\nCalculated gradient is outside expected range.\n If this seems reasonable, update EXPECTED_EVALUATOR_BROMINE_GRADIENT in test_system.py with these values" - np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_GRADIENT, G, atol=2500, err_msg=msgG) + np.testing.assert_allclose(EXPECTED_EVALUATOR_BROMINE_GRADIENT, G, atol=2000, err_msg=msgG) class TestLipidStudy(ForceBalanceSystemTest): def setup_method(self, method):