Molecule

core.domain.preprocessor.Molecule
See theMolecule companion object
case class Molecule(moleculeId: MoleculeId, moleculeSmiles: String, moleculeIupacName: String)

Represents a molecule with its ID, SMILES string, and IUPAC name.

Value parameters

moleculeId

The unique identifier for the molecule.

moleculeIupacName

The IUPAC (International Union of Pure and Applied Chemistry) name of the molecule.

moleculeSmiles

The SMILES (Simplified Molecular Input Line Entry System) representation of the molecule.

Attributes

Companion
object
Source
Chemical.scala
Graph
Supertypes
trait Serializable
trait Product
trait Equals
class Object
trait Matchable
class Any
Show all

Members list

Value members

Inherited methods

def productElementNames: Iterator[String]

Attributes

Inherited from:
Product
def productIterator: Iterator[Any]

Attributes

Inherited from:
Product