1413
90%

Ran 24 May 2018 10:41PM UTC

Jobs 4

Files 47

Run time 1450min

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Build # 1413

Build Type

push

travis-ci

Committed by

justinGilmer

Commit Message

Feat/add smarts compound generation (#430)

* not sure why but I needed to add openmm as a dep

* first pass at stopping rotations

* failing 3 tests, need to improve logic

* passes all tests

* syncing with upstream

* Added initial smarts support

* Added basic unit tests

* import pybel in a nicer way

* forgot to include ref file

* added some python2 support, I hope support of it gets dropped sooner than later

* added .smi to manifest

* Renamed smarts to smiles

Added warning if more than one smiles string is used

Added better message if openbabel is not installed

* print smiles string used if more than one

Coverage Stats

2586 of 2908 relevant lines covered (88.93%)

3.56 hits per line

Jobs

ID	Job ID	Ran	Coverage
1	1413.1 (PYTHON_VERSION=2.7)	24 May 2018 10:42PM UTC	88.93	Travis Job 1413.1
2	1413.2 (PYTHON_VERSION=3.5)	24 May 2018 10:41PM UTC	88.93	Travis Job 1413.2
3	1413.3 (PYTHON_VERSION=2.7)	24 May 2018 10:44PM UTC	88.93	Travis Job 1413.3
4	1413.4 (PYTHON_VERSION=3.5)	24 May 2018 10:43PM UTC	88.93	Travis Job 1413.4

Source Files on build 1413

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