DBPCMSettings

class openff.recharge.esp.storage.db.DBPCMSettings(**kwargs)[source]

Bases: _UniqueMixin, Base

Attributes

cavity_area

id

metadata

radii_model

radii_scaling

registry

solvent

solver

Methods

__init__(**kwargs)

A simple constructor that allows initialization from kwargs.

db_to_instance(db_instance)

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 db_to_instance(db_instance: DBPCMSettings) → PCMSettings[source]
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
solver
solvent
radii_model
radii_scaling
cavity_area
classmethod db_to_instance(db_instance: DBPCMSettings) → PCMSettings[source]