Todor Kondic authored Nov 05, 2020 and Emma Schymanski committed Nov 05, 2020

The input and build scripts have so far been tightly coupled. For
example, the filter list input had to have a specific order and each
time it was necessary to add another category of pubchem to pubchemlite,
it was needed to create a matching condition in rest_grab_props.pl.

This unnecessarily inflexible approach was replaced by two different
inputs -- a mapping file which creates a relationship between the
pubchem table of contents and the metfrag columns and a manifest file in
a human-readable YAML format which allows user to direct build in a
convenient fashion.

Logging and error interception was further improved.

The most important changes are reflected in the top-level driver
script pb-driver-lite.sh and rest_grab_props.pl . The new file
read_manifest.pl is generating the filter bits and the legend file used
by rest_grab_props.pl to set up MetFrag column headers.