loadXyz function

List<AtomObject> loadXyz(
  1. String xyz
)

Load atoms from xyz file format.

Implementation

List<AtomObject> loadXyz(String xyz) {
  final atomObjects = <AtomObject>[];
  final lines = xyz.split('\n');
  for (var line in lines) {
    final parts = line.split(RegExp(r'\s+'));
    if (parts.length == 4) {
      final elementName = parts[0];
      final position = Vector3(
        double.parse(parts[1]),
        double.parse(parts[2]),
        double.parse(parts[3]),
      );
      atomObjects.add(AtomObject.fromElementName(elementName, position));
    }
  }
  return atomObjects;
}