Class SmilesParser

java.lang.Object

org.episteme.natural.chemistry.SmilesParser

public class SmilesParser
extends Object

Parser for SMILES (Simplified Molecular Input Line Entry System) strings.

Supports basic aliphatic and aromatic structures, branching, and ring closures.

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Method Summary

Modifier and Type	Method	Description
static MolecularGraph	parse(String smiles)	Parses a SMILES string into a MolecularGraph.

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Method Details

parse

public static MolecularGraph parse(String smiles)

Parses a SMILES string into a MolecularGraph.

Parameters:

smiles - the SMILES string

Returns:

the molecular graph