Jonathan Barnoud

On 04/07/16 15:18, Pierre Poulain wrote: > @jbarnoud https://github.com/jbarnoud can I add this branch to > Pbxplore repo? > > — > You are receiving this because you were mentioned....

Why not. Le 4 juil. 2016 3:46 PM, Pierre Poulain [email protected] a écrit :@jbarnoud but as a "dev_pbkmeans" branch? So that you can clean/remove the clustering from the master branch....

I have plans to edit a docker file at one point after I write a setup.py. I would be very happy if someone else could do it, though.

I think I remember that pandas does take anything within quotes as string. Then, number and booleans in unambiguous. It has the benefit of matching the syntax of python (and...

This is indeed the kind of lines we would like the tests to cover. Ideally, we would like you to choose a file and have the tests cover all the...

This issue is all about increasing the test coverage. Too often we write tests to make sure what should work does, but we omit the tests that make sure the...

The line you point too appears in green on coverall. This means that the line is covered by the tests. In particular, I think it is covered by [`test_psa.TestPSAExceptions.test_get_path_metric_func_bad_key`](https://github.com/MDAnalysis/mdanalysis/blob/develop/testsuite/MDAnalysisTests/analysis/test_psa.py#L101).

@vedantrathore Yes. The whole function is untested; tests for this function should follow each branch (`i` out of bond, `j` out of bond, `i` and `j` in the expected range,...

From what I see (http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#ENDMDL, http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#TER), the best is probably to have both.

It does matter that the TER is before the ENDMDL. The TER closes a chain and is part of that chain. ENDMDL closes a model, that contains one or several...