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markovmodel / msmtools

Tools for estimating and analyzing Markov state models
GNU Lesser General Public License v3.0
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Dtraj api #39

Closed franknoe closed 9 years ago

franknoe commented 9 years ago

Making all discrete_trajectory functions available as api

franknoe commented 9 years ago

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

marscher commented 9 years ago

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 commented 9 years ago

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.

— Reply to this email directly or view it on GitHub https://github.com/markovmodel/msmtools/pull/39#issuecomment-125543423.

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 commented 9 years ago

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

marscher commented 9 years ago

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 commented 9 years ago

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.

— Reply to this email directly or view it on GitHub https://github.com/markovmodel/msmtools/pull/39#issuecomment-125548863.

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