interpretNmr function

Future<String> interpretNmr(
  1. String smiles
)

Interprets a 1H NMR spectrum from a SMILES string

Implementation

Future<String> interpretNmr(String smiles) async {
  final result = await Spectroscopy.simulateProtonNmr(smiles);

  if (result.containsKey('error')) {
    return 'Error: ${result['error']}';
  }

  return result['summary'] as String;
}