Function parseStructurePrefix

parseStructurePrefix(query: string): { mode: StructureMode; value: string }

Strips an explicit smiles: or inchikey: prefix from a query, letting the user force structure resolution for otherwise-ambiguous input (e.g. smiles:CO instead of carbon monoxide).

Parameters

query: string
The raw search query, possibly prefixed

Returns { mode: StructureMode; value: string }

The detected mode and the bare value with the prefix removed

Example

parseStructurePrefix("smiles:CCO") // { mode: "smiles", value: "CCO" }
parseStructurePrefix("inchikey:LFQSCWFLJHTTHZ-UHFFFAOYSA-N")
//                    => { mode: "inchikey", value: "LFQSCWFLJHTTHZ-UHFFFAOYSA-N" }
parseStructurePrefix("ethanol") // { mode: "auto", value: "ethanol" }

Source

export function parseStructurePrefix(query: string): { mode: StructureMode; value: string } {
  const match = /^(smiles|inchikey)\s*:\s*(.+)$/i.exec(query.trim());
  if (match) {
    return { mode: match[1].toLowerCase() as 'smiles' | 'inchikey', value: match[2].trim() };
  }
  return { mode: 'auto', value: query.trim() };
}