OpenFF Recharge documentation

openff-recharge

DBESPSettings

class openff.recharge.esp.storage.db.DBESPSettings(**kwargs)

Bases: _UniqueMixin, Base

Attributes

basis
id
metadata
method
psi4_dft_grid_settings
registry

Methods

__init__(**kwargs)	A simple constructor that allows initialization from kwargs.
unique(db, instance)	Creates a new database object from the specified instance if it does not already exist on the database, otherwise the existing instance is returned.

__init__(**kwargs)

A simple constructor that allows initialization from kwargs.

Sets attributes on the constructed instance using the names and values in kwargs.

Only keys that are present as attributes of the instance’s class are allowed. These could be, for example, any mapped columns or relationships.

classmethod unique(db: Session, instance: _InstanceType) → _DBInstanceType

Creates a new database object from the specified instance if it does not already exist on the database, otherwise the existing instance is returned.

id

basis

method

psi4_dft_grid_settings