Species

Represent a molecular species with a fractional or absolute count in a system.

Attributes

attributefractionOptional[float]

= None

attributecountOptional[int]

= None

attributeresnameResidueName

= Field(..., description='Residue name.')

attributechargeint

Return the formal charge of the species.

funccheck_fraction_or_count(self) → Species

paramself

Returns

SingleMoleculeSpecies