Further small updates to examples, quickmodel, and pymcmodels

choderalab / assaytools

Modeling and Bayesian analysis of fluorescence and absorbance assays.

http://assaytools.readthedocs.org

GNU Lesser General Public License v2.1

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Closed sonyahanson closed 7 years ago

sonyahanson commented 7 years ago

In this PR I hope to tackle a few small updates:

update examples to not have env PYTHONPATH="./"
fix parsing in quickmodel to be slightly more flexible, currently it seems to stop at 4 ligands, which is not how our 384-well plates are organized
Remove AdaptiveMetropolis in pymcmodels
Change dLstated and dPstated to be provided in input files in quickmodel

sonyahanson commented 7 years ago

All these changes are done! You can now define P_error in your inputs file, as is now in the inputs_example.py in scripts.

Mergeable when checks pass.

jchodera commented 7 years ago

Woohoo!