Module loader

Parse molecule files in the .mol file format.

Example

// Read a molecule data file as a string of lines
let molfile = fs::read_to_string(path)?;

let molecule = loader::parse_molfile_str(&molfile).expect("Cannot parse molfile");

Enums

ParserError

Molecule data file parsing functions return a ParserError type when an error occurs.

Functions

parse_molfile_str

Parse a string containing the contents of a .mol molecule data file and return a crate::molecule::Molecule object.

parse_sdfile_str

Parse a .sdf molecule data file and return a crate::molecule::Molecule object. To be implemented