models

The package models includes all modules that describe the SQLAlchemy classes for the tables in the database and the Pydantic-classes that are used for the creation of new entries.

base

TimeStampedModel

Abstract base class providing automatic timestamp fields for all inheriting SQLAlchemy models.

measurements

Measurement

Base class representing a single measurement.

CWEPR

Continuous-wave electron paramagnetic resonance (cw-EPR) measurement.

TREPR

Time-resolved electron paramagnetic resonance (trEPR) measurement.

PulseEPR

Pulsed electron paramagnetic resonance (pulsed EPR) measurement.

UVVis

UVvis measurement.

Fluorescence

Fluorescence measurement.

TA

Transient absorption measurement.

creation_pydantic_measurements

MeasurementModel

Pydantic data model for creating new ms.Measurement entries.

CWEPRModel

Pydantic model for creating new ms.CWEPR measurements.

TREPRModel

Pydantic model for creating new ms.TREPR measurements.

PulseEPRModel

Pydantic model for creating new ms.PulseEPR measurements.

UVVisModel

Pydantic model for creating new ms.UVVis measurements.

FluorescenceModel

Pydantic model for creating new ms.Fluorescence measurements.

TAModel

Pydantic model for creating new ms.TA (transient absorption) measurements.

molecules

Molecule

Base clase representing a molecule.

SingleMolecule

Single-molecule entry in the molecular hierarchy.

RP

Radical-pair molecule entry within the molecular hierarchy.

TDP

Triplet–doublet–pair (TDP) molecular entry in the polymorphic molecule hierarchy.

TTP

Triplet–triplet–pair (TTP) molecular entry in the polymorphic molecule hierarchy.

creation_pydantic_molecules

MoleculeModel

Pydantic model for creating new models.Molecule entries.

SingleMoleculeModel

Pydantic model for creating new mol.SingleMolecule molecules.

RPModel

Pydantic model for creating new mol.RP radical-pair molecules.

TDPModel

Pydantic model for creating new mol.TDP triplet–doublet–pair molecules.

TTPModel

Pydantic model for creating new mol.TTP triplet–triplet–pair molecules.