BaseParser¶
- class manim_chemistry.utils.parsers.base_parser.BaseParser(filename: str | bytes | PathLike)[source]¶
Initializes the parser given a file name.
This is a base class that must be extended on child classes.
- The purposes of the parser classes are:
Read a file with chemical data.
Parse the file to extract the atoms and bonds data.
Return a dictionary with the atoms and bonds data.
- property atoms¶
Returns atoms data.
- property bonds¶
Returns bonds data.
- abstract static data_parser(data: Any) Tuple[Dict, Dict] | List[Tuple[Dict, Dict]] [source]¶
Parses the atoms and bonds data and returns a tuple of dictionaries with each data.
The atom data follows the structure:
{<atom_index>: {“element”: <atom_element>, “position”: [<x_pos>, <y_pos>, <z_pos>]}}
The bond data follows the structure:
{<bond_index>: {“from_atom_index”: <from_atom_index>, “to_atom_index”: <to_atom_index>, “bond_type”: <bond_type>}}
- property molecule_data¶
Returns molecule data: atoms_data and bonds_data.