#2552 - "Calculate Properties" for macromolecules #5254
34151 tests run, 26237 passed, 0 skipped, 7914 failed.
Annotations
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[1-$RXN\nREAC_1\n -INDIGO- 0100000000\n\n 1 1\n$MOL\ncooh\n -INDIGO-01000000002D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 0.4839 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5961 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4839 1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2922 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9678 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 1 2 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 2 7 1 0 0 0 0\nM END\n$MOL\ncooh\n -INDIG
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[2-$RXN\nREAC_2\n -INDIGO- 0100000000\n\n 1 1\n$MOL\ncooh\n -INDIGO-01000000002D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 0.4839 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5961 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4839 1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2922 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9678 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 1 2 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 2 7 1 0 0 0 4\nM END\n$MOL\ncooh\n -INDIG
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[3-$RXN\nREAC_3\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 2 1 0 0 0 0 0 0 0 0999 V2000\n 1.5000 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1 0 0\n 2.2125 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 2 0 0\n 1 2 1 0 0 0 2\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 2 1 0 0 0 0 0 0 0 0999 V2000\n 6.5416 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1 0 0\n 7.2541 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 2 0 0\n 1 2 1 0 0 0 2\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[4-$RXN\nREAC_4\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n -2.9750 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n -2.2625 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 2 0 0\n -1.5500 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 3 0 0\n 1 2 1 0 0 0 2\n 2 3 1 0 0 0 2\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n 3.4209 -1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 3 0 0\n 2.7084 -2.3834 0.0000 O 0 0 0 0 0 0 0 0 0 2 0 0\n 1.9959 -1.9709 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n 2 3 1 0 0 0 2\n 1 2 1 0 0 0 2\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[5-$RXN\nREAC_5\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n -1.1351 -0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n 0.0984 0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0\n 1.2615 -1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 0.1454 1.4855 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 2\n 2 3 1 0 0 0 2\n 2 4 1 0 0 0 4\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n -2.4253 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n -1.1102 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0\n -0.1366 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n -1.0419 2.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 2\n 2 3 1 0 0 0 2\n 2 4 1 0 0 0 4\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[6-$RXN\nREAC_6\n -INDIGO- 0100000000\n\n 0 1\n$MOL\n\n -INDIGO-01000000002D\n\n 5 6 0 0 0 0 0 0 0 0999 V2000\n -1.4227 0.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0790 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3920 -0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4227 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1169 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 2 1 0 0 0 0\n 2 4 1 0 0 0 0\n 1 2 1 0 0 0 0\n 3 5 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 3 1 0 0 0 0\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[7-$RXN\nREAC_7\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n -0.1341 -0.3108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1770 0.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5097 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 2 1 0 0 0 0 0 0 0 0999 V2000\n 0.8347 0.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7053 0.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[8-$RXN\nREAC_8\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 5 5 0 0 0 0 0 0 0 0999 V2000\n -0.7777 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0\n 0.7623 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0\n -1.2300 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n 1.2300 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0\n 0.0038 -0.9660 0.0000 N 0 0 0 0 0 0 0 0 0 3 0 0\n 1 2 1 0 0 0 2\n 1 3 2 0 0 0 2\n 2 4 2 0 0 0 2\n 3 5 1 0 0 0 2\n 4 5 1 0 0 0 2\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 8 8 0 0 0 0 0 0 0 0999 V2000\n -0.1846 0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0\n 1.2837 -0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6523 1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0\n -1.4096 -0.4594 0.0000 N 0 0 0 0 0 0 0 0 0 3 0 0\n 1.6235 -1.4704 0.0000 O 0 0
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[9-$RXN\nREAC_9\n -INDIGO- 0100000000\n\n 2 1\n$MOL\n\n -INDIGO-01000000002D\n\n 23 25 0 0 1 0 0 0 0 0999 V2000\n 2.1409 -0.0166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1430 2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4288 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1512 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6916 -0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1430 1.0477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.1866 3.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0415 3.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4309 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8636 -2.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5860 -2.5302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6813 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3561 -3.1099 0.
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[10-$RXN\nREAC_10\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.7315 0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6012 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0643 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7315 -1.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9365 0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.0618 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3996 -0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2690 -0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0618 2.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3996 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[11-$RXN\nREAC_11\n -INDIGO- 0100000000\n\n 0 1\n$MOL\n\n -INDIGO-01000000002D\n\n 1 0 0 0 0 0 0 0 0 0999 V2000\n 0.0000 0.0000 0.0000 At 0 0 0 0 0 0 0 0 0 0 0 0\nM ISO 1 1 192\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_alter[12-$RXN\nREAC_12\n -INDIGO- 0100000000\n\n 1 2\n$MOL\n\n -INDIGO-01000000002D\n\n 6 5 0 0 1 0 0 0 0 0999 V2000\n 0.0594 0.2190 0.0000 C 0 0 1 0 0 0 0 0 0 1 2 0\n -1.2731 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0\n 0.0631 1.7593 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 1.3956 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0\n -1.2731 -2.0859 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0\n -1.2694 2.5313 0.0000 N 0 0 0 0 0 0 0 0 0 6 0 0\n 1 2 1 0 0 0 2\n 1 3 1 0 0 0 2\n 1 4 1 1 0 0 2\n 2 5 1 0 0 0 2\n 3 6 1 0 0 0 2\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 9 8 0 0 1 0 0 0 0 0999 V2000\n -0.3711 0.9908 0.0000 C 0 0 1 0 0 0 0 0 0 3 0 0\n -0.3711 -0.5455 0.0000 C 0 0 2 0 0 0 0 0 0 1 2 0\n 0.9611 1.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7032 1.7626 0.0000 N 0 0
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[1-$RXN\nREAC_1\n -INDIGO- 0100000000\n\n 1 1\n$MOL\ncooh\n -INDIGO-01000000002D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 0.4839 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5961 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4839 1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2922 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9678 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 1 2 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 2 7 1 0 0 0 0\nM END\n$MOL\ncooh\n -IND
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[2-$RXN\nREAC_2\n -INDIGO- 0100000000\n\n 1 1\n$MOL\ncooh\n -INDIGO-01000000002D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 0.4839 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5961 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4839 1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2922 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9678 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 1 2 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 2 7 1 0 0 0 4\nM END\n$MOL\ncooh\n -IND
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[3-$RXN\nREAC_3\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 2 1 0 0 0 0 0 0 0 0999 V2000\n 1.5000 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1 0 0\n 2.2125 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 2 0 0\n 1 2 1 0 0 0 2\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 2 1 0 0 0 0 0 0 0 0999 V2000\n 6.5416 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 1 0 0\n 7.2541 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 2 0 0\n 1 2 1 0 0 0 2\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[4-$RXN\nREAC_4\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n -2.9750 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n -2.2625 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 2 0 0\n -1.5500 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 3 0 0\n 1 2 1 0 0 0 2\n 2 3 1 0 0 0 2\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n 3.4209 -1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 3 0 0\n 2.7084 -2.3834 0.0000 O 0 0 0 0 0 0 0 0 0 2 0 0\n 1.9959 -1.9709 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n 2 3 1 0 0 0 2\n 1 2 1 0 0 0 2\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[5-$RXN\nREAC_5\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n -1.1351 -0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n 0.0984 0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0\n 1.2615 -1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 0.1454 1.4855 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 2\n 2 3 1 0 0 0 2\n 2 4 1 0 0 0 4\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 4 3 0 0 0 0 0 0 0 0999 V2000\n -2.4253 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n -1.1102 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0\n -0.1366 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n -1.0419 2.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 2\n 2 3 1 0 0 0 2\n 2 4 1 0 0 0 4\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[6-$RXN\nREAC_6\n -INDIGO- 0100000000\n\n 0 1\n$MOL\n\n -INDIGO-01000000002D\n\n 5 6 0 0 0 0 0 0 0 0999 V2000\n -1.4227 0.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0790 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3920 -0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4227 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1169 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5 2 1 0 0 0 0\n 2 4 1 0 0 0 0\n 1 2 1 0 0 0 0\n 3 5 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 3 1 0 0 0 0\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[7-$RXN\nREAC_7\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 3 2 0 0 0 0 0 0 0 0999 V2000\n -0.1341 -0.3108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1770 0.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5097 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 2 1 0 0 0 0 0 0 0 0999 V2000\n 0.8347 0.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7053 0.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[8-$RXN\nREAC_8\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 5 5 0 0 0 0 0 0 0 0999 V2000\n -0.7777 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0\n 0.7623 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0\n -1.2300 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0\n 1.2300 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0\n 0.0038 -0.9660 0.0000 N 0 0 0 0 0 0 0 0 0 3 0 0\n 1 2 1 0 0 0 2\n 1 3 2 0 0 0 2\n 2 4 2 0 0 0 2\n 3 5 1 0 0 0 2\n 4 5 1 0 0 0 2\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 8 8 0 0 0 0 0 0 0 0999 V2000\n -0.1846 0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0\n 1.2837 -0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6523 1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0\n -1.4096 -0.4594 0.0000 N 0 0 0 0 0 0 0 0 0 3 0 0\n 1.6235 -1.4704 0.0000 O 0 0
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[9-$RXN\nREAC_9\n -INDIGO- 0100000000\n\n 2 1\n$MOL\n\n -INDIGO-01000000002D\n\n 23 25 0 0 1 0 0 0 0 0999 V2000\n 2.1409 -0.0166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1430 2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4288 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1512 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6916 -0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1430 1.0477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.1866 3.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0415 3.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4309 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8636 -2.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5860 -2.5302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6813 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3561 -3.1099
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[10-$RXN\nREAC_10\n -INDIGO- 0100000000\n\n 1 1\n$MOL\n\n -INDIGO-01000000002D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.7315 0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6012 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0643 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7315 -1.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9365 0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 5 4 0 0 0 0 0 0 0 0999 V2000\n 0.0618 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3996 -0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2690 -0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0618 2.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3996 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[11-$RXN\nREAC_11\n -INDIGO- 0100000000\n\n 0 1\n$MOL\n\n -INDIGO-01000000002D\n\n 1 0 0 0 0 0 0 0 0 0999 V2000\n 0.0000 0.0000 0.0000 At 0 0 0 0 0 0 0 0 0 0 0 0\nM ISO 1 1 192\nM END\n]
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_discard[12-$RXN\nREAC_12\n -INDIGO- 0100000000\n\n 1 2\n$MOL\n\n -INDIGO-01000000002D\n\n 6 5 0 0 1 0 0 0 0 0999 V2000\n 0.0594 0.2190 0.0000 C 0 0 1 0 0 0 0 0 0 1 2 0\n -1.2731 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 2 0 0\n 0.0631 1.7593 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 1.3956 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0\n -1.2731 -2.0859 0.0000 C 0 0 0 0 0 0 0 0 0 5 0 0\n -1.2694 2.5313 0.0000 N 0 0 0 0 0 0 0 0 0 6 0 0\n 1 2 1 0 0 0 2\n 1 3 1 0 0 0 2\n 1 4 1 1 0 0 2\n 2 5 1 0 0 0 2\n 3 6 1 0 0 0 2\nM END\n$MOL\n\n -INDIGO-01000000002D\n\n 9 8 0 0 1 0 0 0 0 0999 V2000\n -0.3711 0.9908 0.0000 C 0 0 1 0 0 0 0 0 0 3 0 0\n -0.3711 -0.5455 0.0000 C 0 0 2 0 0 0 0 0 0 1 2 0\n 0.9611 1.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7032 1.7626 0.0000 N 0
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Check failure on line 1 in TestAam
github-actions / bingo_postgres_14_test_report
TestAam.test_aam_clear[1-$RXN\nREAC_1\n -INDIGO- 0100000000\n\n 1 1\n$MOL\ncooh\n -INDIGO-01000000002D\n\n 9 9 0 0 0 0 0 0 0 0999 V2000\n 0.4839 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5961 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8261 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2861 -2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4839 1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2922 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9678 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 1 2 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 2 7 1 0 0 0 0\nM END\n$MOL\ncooh\n -INDIG
TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'
Raw output
E TypeError: print_exception() missing 2 required positional arguments: 'value' and 'tb'