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Tighten tolerances
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leeping committed Nov 24, 2019
1 parent dc27aa1 commit 1d91dba
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/tests/test_system.py
Original file line number Diff line number Diff line change
Expand Up @@ -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])
Expand Down Expand Up @@ -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):
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