storage

Store ESP and electric field data in SQLite databases

Modules

`db`	Utilities for storing data in a SQLite database
`exceptions`	Exceptions raised when storing ESP and electric field data

Classes

MoleculeESPRecord

A record which contains information about the molecule that the ESP was measured for (including the exact conformer coordinates), provenance about how the ESP was calculated, and the values of the ESP at each of the grid points.

MoleculeESPStore

A class used to store the electrostatic potentials and the grid on which they were evaluated for multiple molecules in multiple conformers, as well as to retrieve and query this stored data.

`MoleculeESPRecord`	A record which contains information about the molecule that the ESP was measured for (including the exact conformer coordinates), provenance about how the ESP was calculated, and the values of the ESP at each of the grid points.
`MoleculeESPStore`	A class used to store the electrostatic potentials and the grid on which they were evaluated for multiple molecules in multiple conformers, as well as to retrieve and query this stored data.