openff.recharge.charges.bcc.BCCParameter

model openff.recharge.charges.bcc.BCCParameter[source]

Bases: BaseModel

An object which encodes the value of a bond-charge correction, the chemical environment to which it should be applied, and provenance about its source.

Fields
field smirks: openff.recharge.charges.bcc.ConstrainedStrValue [Required]

A SMIRKS pattern that encodes the chemical environment that this correction should be applied to.

Constraints

  • minLength = 1

field value: float [Required]

The value [e] of this correction.

field provenance: Optional[Dict[str, Any]] = None

Provenance information about this bond charge correction.