generateAsciiArt static method

Implementation

static String generateAsciiArt(String smiles) {
  if (!isSmilesValid(smiles)) {
    return 'Invalid SMILES string provided';
  }

  // Parse the SMILES to get structure information
  final structure = parseSmiles(smiles);
  final atomCounts = structure['atomCounts'] as Map<String, int>;
  final rings = structure['rings'] as int;
  final branches = structure['branches'] as int;

  // Generate a simple ASCII representation
  final buffer = StringBuffer();

  buffer.writeln('ASCII Molecule: $smiles');
  buffer.writeln('=' * 30);

  // Create a representation of atoms
  atomCounts.forEach((element, count) {
    buffer.write('$element');
    if (count > 1) buffer.write(' ─ ' * (count - 1));
    buffer.writeln();
  });

  // Add rings representation
  if (rings > 0) {
    buffer.writeln('\nRings (${rings}):');
    for (int i = 0; i < rings; i++) {
      buffer.writeln('  ○');
    }
  }

  // Add branches representation
  if (branches > 0) {
    buffer.writeln('\nBranches (${branches}):');
    for (int i = 0; i < branches; i++) {
      buffer.writeln('  │');
      buffer.writeln('  └─');
    }
  }

  return buffer.toString();
}