add cctbx class

[themindatlarge]

No description provided.

[fredericpoitevin]

Reopening to discuss and try to address the following:

• make it run at NERSC optionally.
• automate masking?
• automate geometry calibration
  What file format and where does cctbx expects to see a geometry file?
  Note: we have students working on improving our current automated way to optimize geometry from silver behenate; CCTBX could benefit from it for free assuming we know the answer to the question above. Our current tools could already be useful.
• automate setup
  Daniel took care of that (in the case of S3DF, not yet NERSC) but test failed today. Database issue?
• simplify database management
  Why do we need to ping Murali again? Could we setup a simpler SQLite thing that we manage ourselves? Every experiment will come with its own database going forward. Murali automated the process.
• clarify and document what’s up to the beamline operator (e.g. FEE spectrometer calibration)
• automate trials management
  I’m looking into a way to retrieve the “Sample” associated with a given run upon run start. This could be picked up for the trials? How?