coflandscaper.parse_atom_lines¶

coflandscaper.parse_atom_lines(lines, start_idx)[source]¶

Parse atom symbols and XYZ coordinates from a line block.

Parameters:

lines (list[str]) – Text lines from a CRYSTAL output.
start_idx (int) – Index where the atom block begins.

Returns:

Tuple of (symbols, coordinates), where coordinates are raw XYZ values.

Return type:

tuple[list[str], list[list[float]]]