main

The database is referenced in main and the session is opened.

Path definitions

The following global pathes are defined in main:

BASE_PATH

This is the root path of the archive-directory as defined in ~/.specatalog/defaults.json.

MEASUREMENTS_PATH

This is the foldername in the archive containing all measurement data: "data".

MOLECULES_PATH

This is the foldername in the archive containing all molecule structural formulas: "molecules".

The pathes can be imported and used by:

from specatalog.main import BASEPATH, MEASUREMENTS_PATH

# e.g. path to the measurement_1-directory in the archive
measurement_1 = BASEPATH / MEASUREMENTS_PATH / "M1"

Session

The SQLAlchemy-session is started in main and can be imported and used by:

from specatalog.main import db_session
session = db_session()