Function chemfiles::guess_format

pub fn guess_format<P>(path: P) -> Result<String, Error>
where
    P: AsRef<Path>,

Get the format that chemfiles would use to read a file at the given path.

The format is mostly guessed from the path extension, chemfiles only tries to read the file to distinguish between CIF and mmCIF files. Opening the file using the returned format string might still fail. For example, it will fail if the file is not actually formatted according to the guessed format; or the format/compression combination is not supported (e.g. XTC / GZ will not work since the XTC reader does not support compressed files).

The returned format is represented in a way compatible with the various Trajectory constructors, i.e. "<format name> [/ <compression>]", where compression is optional.

Errors

This function returns an error if the file format couldn’t be guessed.

Panics

This function panics if the path can’t be converted to a Unicode string.

Examples

let format = chemfiles::guess_format("trajectory.xyz.xz").unwrap();
assert_eq!(format, "XYZ / XZ");

let format = chemfiles::guess_format("trajectory.nc").unwrap();
assert_eq!(format, "Amber NetCDF");

let format = chemfiles::guess_format("trajectory.unknown.format");
assert!(format.is_err());