Improved connectivity checks

markovmodel / thermotools

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GNU Lesser General Public License v3.0

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Improved connectivity checks #43

Closed fabian-paul closed 7 years ago

fabian-paul commented 7 years ago

addresses issue https://github.com/markovmodel/PyEMMA/issues/1052

This PR adds a new algorithm ('reversible_pathways') for checking connectivity. It allows to identify bad input data for TRAM and dTRAM which has previously caused non-convergence of the estimators.

fabian-paul commented 7 years ago

Hey, @marscher @cwehmeyer can you help me here? The Travis jobs for mac OS are failing with "/Users/travis/.travis/job_stages: line 53: conda: command not found". Is there anything wrong with the Travis setup?

fabian-paul commented 7 years ago

I think we should not wait too long before this gets merged. Shall we just merge and fix the travis issue later?

marscher commented 7 years ago

@fabian-paul can you resolve this conflict? I dont know the code and I dont wanna break something.

marscher commented 7 years ago

When done, please merge. This osx error is strange and I could not fix it...