1
90%
master: 90%

Ran 13 Nov 2017 11:01PM UTC

Files 46

Run time 2s

Badge

Embed ▾

Committed 13 Nov 2017 10:52PM UTC coverage: 88.727% (+0.5%) from 88.178%

Job # PYTHON_VERSION=2.7

Build Type

push

travis-ci

Committed by

summeraz

Commit Message

Packing fixes (#385)

* Add edge buffer in packing functions

* Support aspect ratio for generated boxes

* Start working with compound_ratio

* Support compound_ratio and add test

* Cleanup

* Actually build n_compounds and test it

* Ensure n_compounds contains ints if list

* Add docstrings for packing functions

* Test for bad combinations of input parameters

* Raise an error if compound and n_compounds are of different len

* Add optional flag for writing packmol output

* Copy packmol PDB directly; don't write from mbuild compound

* First attempt at handling packmol errors

* Reorder arguments to match previous versions

* Force ruby 2.3 for homebrew (#392)

* Test packmol error and warning

* Small requested fixes

* Add _run_packmol helper function and rework tempfile

* Add new arguments to some docstrings

* Add _check_packmol helper function

* Test temp_file behavior in each packing function

* Cleanup some docstrings

* Cleanup in fill_region: applying edge buffer & docstrings

Coverage Stats

2495 of 2812 relevant lines covered (88.73%)

0.89 hits per line

mosdef-hub / mbuild / 1256 / 1
90%
master: 90%

README BADGES
x

Markdown

Textile

RDoc

HTML

Rst

Source Files on job 1256.1 (PYTHON_VERSION=2.7)

mosdef-hub / mbuild / 1256 / 1 90% master: 90%

README BADGES x

Markdown

Textile

RDoc

HTML

Rst

Source Files on job 1256.1 (PYTHON_VERSION=2.7)

mosdef-hub / mbuild / 1256 / 1
90%
master: 90%

README BADGES
x