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joaomcteixeira / taurenmd
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master: 99%

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Repo Added 15 Oct 2019 03:07AM UTC
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joaomcteixeira
Interface for unwrap molecules

* Adds interface to use unwrap method from MDAnalsysis:
    * https://www.mdanalysis.org/docs/documentation_pages/core/groups.html#MDAnalysis.core.groups.AtomGroup.unwrap
* Adds also options to handle the method parameters
* Improves log messages

6 of 60 branches covered (10.0%)

Branch coverage included in aggregate %.

136 of 372 relevant lines covered (36.56%)

0.73 hits per line

Relevant lines Covered
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372 RELEVANT LINES 136 COVERED LINES
0.73 HITS PER LINE
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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
110 mdwrap Interface for unwrap molecules * Adds interface to use unwrap method from MDAnalsysis: * https://www.mdanalysis.org/docs/documentation_pages/core/groups.html#MDAnalysis.core.groups.AtomGroup.unwrap * Adds also options to handle the method par... push 16 Nov 2019 03:05AM UTC joaomcteixeira travis-ci pending completion  
109 mdwrap save state crude implementation image mol push 16 Nov 2019 02:06AM UTC joaomcteixeira travis-ci pending completion  
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