Migrating from Old Tree-Structure to the New One

The trajectory underwent a small change from version 0.1b.3 to 0.1b.4. It came clear that the current default tree structure with traj.results.trajectory and traj.results.run_00000000 (etc. for more single runs) is less useful than having all single run results in one group to make browsing the tree easier.

So now everything that is computed in a single run is found under the new subbranch runs. Thus traj.results.run_00000000 becomes traj.results.runs.run_00000000, etc.

This also renders the subbranch trajectory obsolete. Thus, everything that was originally stored under traj.results.trajectory is now moved one node up in the hierarchy to traj.results. All this, of course, happens analogously for derived parameters as well.

If you have many trajectories computed with the old-style structure you can use the following file to change their structure:

Download: to_new_tree.py

Just execute python to_new_tree.py -b --file=myhdf5file.hdf5 within the terminal and the file will automatically be converted to the new structure. --file= to specify the filename and -b to backup the file before updating it (omit -b is you don’t want a backup of the original file).