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Output of "python setup.py -v nosetests" for https://github.com/dudektria/pnictogen
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running nosetests | |
running egg_info | |
writing requirements to pnictogen.egg-info/requires.txt | |
writing pnictogen.egg-info/PKG-INFO | |
writing top-level names to pnictogen.egg-info/top_level.txt | |
writing dependency_links to pnictogen.egg-info/dependency_links.txt | |
writing entry points to pnictogen.egg-info/entry_points.txt | |
reading manifest file 'pnictogen.egg-info/SOURCES.txt' | |
reading manifest template 'MANIFEST.in' | |
writing manifest file 'pnictogen.egg-info/SOURCES.txt' | |
Initial conformer count: 3 | |
30000 attempts, 29998 duplicates, 0 failed filter. | |
0 | |
1 | |
2 | |
=====> Starting conformers search with a Genetic Algorithm <===== | |
Perform elitist generation replacement with mutation only | |
Mutation probability: 0.2 | |
Will stop after 25 generations without improvement. | |
Generation #1 1.24117 | |
Generation #2 1.24117 | |
Generation #3 1.24117 | |
Generation #4 1.24117 | |
Generation #5 1.24117 | |
Generation #6 1.24117 | |
Generation #7 1.24117 | |
Generation #8 1.24117 | |
Generation #9 1.24117 | |
Generation #10 1.24117 | |
Generation #11 1.24117 | |
Generation #12 1.24117 | |
Generation #13 1.24117 | |
Generation #14 1.24117 | |
Generation #15 1.24117 | |
Generation #16 1.24117 | |
Generation #17 1.24117 | |
Generation #18 1.24117 | |
Generation #19 1.24117 | |
Generation #20 1.24117 | |
Generation #21 1.24117 | |
Generation #22 1.24117 | |
Generation #23 1.24117 | |
Generation #24 1.24117 | |
Generation #25 1.24117 | |
Generation #26 1.24117 | |
2 | |
1 | |
0 | |
GetConformers: | |
2 | |
1 | |
0 | |
Initial conformer count: 7 | |
30000 attempts, 27195 duplicates, 2799 failed filter. | |
0 0 | |
0 2 | |
1 2 | |
2 2 | |
2 0 | |
2 1 | |
1 1 | |
=====> Starting conformers search with a Genetic Algorithm <===== | |
Perform elitist generation replacement with mutation only | |
Mutation probability: 0.2 | |
Will stop after 25 generations without improvement. | |
Generation #1 1.23085 | |
Generation #2 1.23085 | |
Generation #3 1.23085 | |
Generation #4 1.23085 | |
Generation #5 1.23085 | |
Generation #6 1.23085 | |
Generation #7 1.23085 | |
Generation #8 1.23085 | |
Generation #9 1.23085 | |
Generation #10 1.23085 | |
Generation #11 1.23085 | |
Generation #12 1.23085 | |
Generation #13 1.23085 | |
Generation #14 1.23085 | |
Generation #15 1.23085 | |
Generation #16 1.23085 | |
Generation #17 1.23085 | |
Generation #18 1.23085 | |
Generation #19 1.23085 | |
Generation #20 1.23085 | |
Generation #21 1.23085 | |
Generation #22 1.23085 | |
Generation #23 1.23085 | |
Generation #24 1.23085 | |
Generation #25 1.23085 | |
Generation #26 1.23085 | |
1 1 | |
0 0 | |
2 2 | |
1 2 | |
0 2 | |
2 1 | |
2 0 | |
GetConformers: | |
1 1 | |
0 0 | |
2 2 | |
1 2 | |
0 2 | |
2 1 | |
2 0 | |
Initial conformer count: 15 | |
30000 attempts, 26747 duplicates, 3239 failed filter. | |
0 0 0 | |
2 0 0 | |
2 1 0 | |
2 2 0 | |
2 2 1 | |
2 2 2 | |
2 0 2 | |
0 0 2 | |
2 1 2 | |
0 2 2 | |
1 2 2 | |
0 2 0 | |
2 1 1 | |
1 1 2 | |
1 2 1 | |
=====> Starting conformers search with a Genetic Algorithm <===== | |
Perform elitist generation replacement with mutation only | |
Mutation probability: 0.2 | |
Will stop after 25 generations without improvement. | |
Generation #1 1.19569 | |
Generation #2 1.19569 | |
Generation #3 1.19569 | |
Generation #4 1.19569 | |
Generation #5 1.19569 | |
Generation #6 1.19569 | |
Generation #7 1.19569 | |
Generation #8 1.19569 | |
Generation #9 1.19569 | |
Generation #10 1.19569 | |
Generation #11 1.19569 | |
Generation #12 1.19569 | |
Generation #13 1.19569 | |
Generation #14 1.19569 | |
Generation #15 1.19569 | |
Generation #16 1.19569 | |
Generation #17 1.19569 | |
Generation #18 1.19569 | |
Generation #19 1.19569 | |
Generation #20 1.19569 | |
Generation #21 1.19569 | |
Generation #22 1.19569 | |
Generation #23 1.19569 | |
Generation #24 1.19569 | |
Generation #25 1.19569 | |
Generation #26 1.19569 | |
1 1 1 | |
0 0 0 | |
2 2 2 | |
1 2 1 | |
0 0 2 | |
1 1 2 | |
0 2 0 | |
0 2 2 | |
1 2 2 | |
2 0 0 | |
2 1 1 | |
2 0 1 | |
2 1 0 | |
2 2 0 | |
2 2 1 | |
2 0 2 | |
2 1 2 | |
GetConformers: | |
1 1 1 | |
0 0 0 | |
2 2 2 | |
1 2 1 | |
0 0 2 | |
1 1 2 | |
0 2 0 | |
0 2 2 | |
1 2 2 | |
2 0 0 | |
2 1 1 | |
2 0 1 | |
2 1 0 | |
2 2 0 | |
2 2 1 | |
2 0 2 | |
2 1 2 | |
Initial conformer count: 30 | |
521 attempts, 358 duplicates, 134 failed filter. | |
0 0 0 0 | |
0 2 0 1 | |
0 2 0 2 | |
2 1 0 2 | |
2 1 0 1 | |
2 2 0 1 | |
1 2 1 1 | |
1 2 2 1 | |
1 2 1 0 | |
2 0 1 0 | |
2 2 1 0 | |
2 2 1 1 | |
0 2 2 1 | |
2 1 2 1 | |
2 1 2 2 | |
1 1 2 2 | |
1 1 1 2 | |
2 1 1 2 | |
2 2 2 1 | |
2 0 1 2 | |
2 1 1 1 | |
1 2 2 2 | |
2 2 0 0 | |
2 0 0 0 | |
2 2 1 2 | |
1 2 1 2 | |
1 1 2 1 | |
1 2 2 0 | |
2 0 2 0 | |
0 2 0 0 | |
=====> Starting conformers search with a Genetic Algorithm <===== | |
Perform elitist generation replacement with mutation only | |
Mutation probability: 0.2 | |
Will stop after 25 generations without improvement. | |
Generation #1 1.1611 | |
Generation #2 1.1611 | |
Generation #3 1.1611 | |
Generation #4 1.1611 | |
Generation #5 1.1611 | |
Generation #6 1.1611 | |
Generation #7 1.1611 | |
Generation #8 1.1611 | |
Generation #9 1.1611 | |
Generation #10 1.1611 | |
Generation #11 1.1611 | |
Generation #12 1.1611 | |
Generation #13 1.1611 | |
Generation #14 1.1611 | |
Generation #15 1.1611 | |
Generation #16 1.1611 | |
Generation #17 1.1611 | |
Generation #18 1.1611 | |
Generation #19 1.1611 | |
Generation #20 1.1611 | |
Generation #21 1.1611 | |
Generation #22 1.1611 | |
Generation #23 1.1611 | |
Generation #24 1.1611 | |
Generation #25 1.1611 | |
Generation #26 1.1611 | |
1 1 1 1 | |
0 0 0 0 | |
2 0 0 0 | |
0 2 0 0 | |
2 1 1 1 | |
1 2 1 1 | |
2 2 0 1 | |
2 2 1 0 | |
2 2 2 2 | |
1 1 1 2 | |
2 0 1 0 | |
0 2 0 1 | |
1 1 2 1 | |
1 2 1 0 | |
0 0 2 0 | |
0 0 0 2 | |
2 1 0 1 | |
2 2 1 1 | |
2 2 0 0 | |
2 0 2 0 | |
0 2 0 2 | |
1 1 2 2 | |
1 2 1 2 | |
0 0 2 2 | |
2 1 2 1 | |
2 0 1 2 | |
2 1 0 2 | |
0 2 2 1 | |
1 2 2 0 | |
2 2 1 2 | |
GetConformers: | |
1 1 1 1 | |
0 0 0 0 | |
2 0 0 0 | |
0 2 0 0 | |
2 1 1 1 | |
1 2 1 1 | |
2 2 0 1 | |
2 2 1 0 | |
2 2 2 2 | |
1 1 1 2 | |
2 0 1 0 | |
0 2 0 1 | |
1 1 2 1 | |
1 2 1 0 | |
0 0 2 0 | |
0 0 0 2 | |
2 1 0 1 | |
2 2 1 1 | |
2 2 0 0 | |
2 0 2 0 | |
0 2 0 2 | |
1 1 2 2 | |
1 2 1 2 | |
0 0 2 2 | |
2 1 2 1 | |
2 0 1 2 | |
2 1 0 2 | |
0 2 2 1 | |
1 2 2 0 | |
2 2 1 2 | |
Initial conformer count: 7 | |
30000 attempts, 27140 duplicates, 2854 failed filter. | |
0 0 | |
0 2 | |
1 2 | |
2 2 | |
2 0 | |
2 1 | |
1 1 | |
=====> Starting conformers search with a Genetic Algorithm <===== | |
Perform elitist generation replacement with mutation only | |
Mutation probability: 0.2 | |
Will stop after 25 generations without improvement. | |
Generation #1 1.23379 | |
Generation #2 1.23379 | |
Generation #3 1.23379 | |
Generation #4 1.23379 | |
Generation #5 1.23379 | |
Generation #6 1.23379 | |
Generation #7 1.23379 | |
Generation #8 1.23379 | |
Generation #9 1.23379 | |
Generation #10 1.23379 | |
Generation #11 1.23379 | |
Generation #12 1.23379 | |
Generation #13 1.23379 | |
Generation #14 1.23379 | |
Generation #15 1.23379 | |
Generation #16 1.23379 | |
Generation #17 1.23379 | |
Generation #18 1.23379 | |
Generation #19 1.23379 | |
Generation #20 1.23379 | |
Generation #21 1.23379 | |
Generation #22 1.23379 | |
Generation #23 1.23379 | |
Generation #24 1.23379 | |
Generation #25 1.23379 | |
Generation #26 1.23379 | |
1 1 | |
0 0 | |
2 2 | |
0 2 | |
1 2 | |
2 0 | |
2 1 | |
GetConformers: | |
1 1 | |
0 0 | |
2 2 | |
0 2 | |
1 2 | |
2 0 | |
2 1 |
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