Allowed values

In the root folder of the archive directory the file allowed_values.py is created. This file creates classes that generate the permitted values for specific columns in the database in order to keep them consistent and enable searchability for specific terms. For example, uniform abbreviations should always be used for chromophores, or water as a solvent should always be referred to as “water” and not “H20”.

This file is placed in the root of the archive directory in order to make it available to all users. The file should be adapted once by the admin in the beginning to set the initial values. Later all members of the team may add allowed values to the classes (if this shall be not allowed change the os-writing permissions so that only the admin has the permission an the rest of the team can only read the file) . For example, a new chormophore is measured or a new solvent is used.

Danger

Existing values should never be deleted or changed, as this would result in inconsistencies in the database!

The syntax of a class is as follows:

class ClassName(str, Enum):
        allowed_value_1 = "allowed_value_1"
        allowed_value_2 = "allowed_value_2"
        allowed_value_n = "allowed_value_n"

The string name is the value that can be added to the database as an attribute.

The following classes exist:

Allowed values classes

Class	Used for
Names	measured_by attribute in the Measurement class. Add the names of your team.
Solvents	solvent attribute in the Measurement class. Add all solvents used.
Devices	device attribute in the Measurement class. Add abbreviations for your measuring devices.
FrequencBands	frequency_band attribute in all EPR classes. Add the letter of the frequency band used.
PulseExperiments	pulse_experiment attribute in the PulseEPR class. Add abbreviations for the names of pulse experiments.
Chromophores	chromophore attribute in the TDP and TTP classes. Add a systematic nomenclature for the chromophores of the molecules in your measurements.
Doublets	doublet attribute in the TDP class. Add a systematic nomenclature for the doublets of the molecules in your measurements.
Linker	linker attribute in the TDP, TTP and RP classes. Add a systematic nomenclature for the linkers of the molecules in your measurements. You may also define “linker” names for molecules that are covalently linked without a linker, or that are linked by supramolecular interactions.
Radicals	radical attribute in the RP class. Add a systematic nomenclature for the radicals of the molecules in your measurements.