theavey / ParaTemp / 256

Builds Branch Commit Type Ran Committer Via Coverage
256 Simulation_class mdps for old GROMACS; str(pathlib.Path) for old Python (< 3.6) push theavey travis-ci pending completion   set done
255 Simulation_class Initial definition of Simulation class push theavey travis-ci pending completion   set done
254 Simulation_class individually mark tests as failing for gradual implementation testing push theavey travis-ci pending completion   set done
253 Simulation_class add simple Simulation test and sim fixture push theavey travis-ci pending completion   set done
252 master Use MultiIndexed DataFrame instead of the deprecated pd.Panel Added some basic tests, mostly to see if the functions run and return things of the proper type push theavey travis-ci pending completion   set done
251 master Run tests with older version tpr files They should be forward compatible (at least for a while), and they should now be readable by the older version of GROMACS installed by apt in Ubuntu 14.04 push theavey travis-ci pending completion   set done
250 master test get_gro_files Also, fix the gromacswrapper use here for newer GROMACS; raise ValueError if different number of tpr and trr files; return the list of created files; document the function a bit more; use zip instead of enumerate and indexing list push theavey travis-ci pending completion   set done
249 master Fix some string escapes; clean up some other parts; basic test import_energies push theavey travis-ci pending completion   set done
248 master Properly test Python version for marking test as failed push theavey travis-ci pending completion   set done
247 master try more general gromacs.tools.G_energy; mark test as fail from panedr push theavey travis-ci pending completion   set done
238 master Start testing on Python 3.7 Have to respecify GROMACS, apparently push theavey travis-ci pending completion   set done
237 master Start testing on Python 3.7 Attempt pytables workaround because of https://github.com/PyTables/PyTables/issues/704 push theavey travis-ci pending completion   set done
236 master Start testing on Python 3.7 (should now work) added sudo: true push theavey travis-ci pending completion   set done
235 master Start testing on Python 3.7 (may not work) push theavey travis-ci pending completion   set done
234 v0.0.4-alpha Merge pull request #38 from theavey/distance_CoM Distance between group centers of mass push web-flow travis-ci pending completion   set done