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madscatt / zazmol

Library for defining molecular objects to create simulation and analysis programs To install: python setup.py install dependencies: numpy, mocker
GNU General Public License v3.0
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Test not passing in test_intg_subset_Mask_get_subset_mask.py #77

Closed madscatt closed 1 year ago

madscatt commented 1 year ago

python test_intg_subset_Mask_get_subset_mask.py ........sss....ERROR = ['failed to evaluate filter selection resid[i]==515 and (name[i]=="N" or name[i]=="CA" or name[i]=="C" or name[i]=="O") and beta[i]>10.0 for atom 0'] F......[] [1 1 1 ... 1 1 1] . ====================================================================== FAIL: test_2AAD_4outof15_3 (main.Test_subset_Mask_get_subset_mask) ---------------------------------------------------------------------- Traceback (most recent call last): File "test_intg_subset_Mask_get_subset_mask.py", line 318, in test_2AAD_4outof15_3 self.assertEqual(len(error) > 0, expecting_error) AssertionError: True != False ---------------------------------------------------------------------- Ran 23 tests in 0.476s

madscatt commented 1 year ago

fixed bug in test by removing beta requirement in basis_string as it was not needed