Dtraj api

[franknoe]

Making all discrete_trajectory functions available as api

[franknoe]

Can someone help me with these Appveyor failures? I think they are windows failures, here the tests run well.

[marscher]

It looks like the file used to write the dtraj is still opened in write mode, when it is being tried to read again by the same doctest. This is forbidden in Windows.

[franknoe]

I did not change these functions, but just moved the doc strings of the
former api.py to discrete_trajectories.py and then replaced api.py (that
was just doing calls to discrete_trajectories.py) by
discrete_trajectories.py. So I don't see how this could have worked
before. Could you or Benjamin look into this?

Am 28/07/15 um 12:21 schrieb Martin K. Scherer:

It looks like the file used to write the dtraj is still opened in
write mode, when it is being tried to read again by the same doctest.
This is forbidden in Windows.

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Reply to this email directly or view it on GitHub
#39 (comment).

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Prof. Dr. Frank Noe
Head of Computational Molecular Biology group
Freie Universitaet Berlin

Phone: (+49) (0)30 838 75354
Web: research.franknoe.de

Mail: Arnimallee 6, 14195 Berlin, Germany

[franknoe]

Actually the tests were failing before my commit, I just realized that I pushed that branch before committing.

[marscher]

please do not refactor code based on open PRs. It was not yet merged, because appveyor was failing, because we've recently enabled doctesting on all platforms.

[franknoe]

I just realized that I forgot to commit, so the merge would have been
ineffective without me pushing again.

Am 28/07/15 um 12:35 schrieb Martin K. Scherer:

please do not refactor code based on open PRs. It was not yet merged,
because appveyor was failing, because we've recently enabled doctesting
on all platforms.

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Reply to this email directly or view it on GitHub
#39 (comment).

---

Prof. Dr. Frank Noe
Head of Computational Molecular Biology group
Freie Universitaet Berlin

Phone: (+49) (0)30 838 75354
Web: research.franknoe.de

Mail: Arnimallee 6, 14195 Berlin, Germany