markovmodel / msmtools

Tools for estimating and analyzing Markov state models
GNU Lesser General Public License v3.0
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reversible transition matrix sampling and C-extension #10

Closed franknoe closed 9 years ago

franknoe commented 9 years ago

(Moved from pyEMMA#124)

Replace stallone-call to reversible transition matrix sampling by python code. The pure python code can be grabbed from here:

https://github.com/choderalab/bhmm/tree/master/bhmm/msm

There's also a cython implementation but that gives only a mild speedup that won't be acceptable for large matrices. Need to write a C-extension to get a sizable speedup.

There's a lot of c-code around that can be used for the generation of Gaussian, beta and gamma variables. Here's one example of a LGPL library:

http://people.sc.fsu.edu/~jburkardt/c_src/ranlib/ranlib.html

I suggest to extract what we need and use it in the C-extension (remember to reference the original source)

trendelkampschroer commented 9 years ago

Fixed by #28