Function chemfiles::guess_format[][src]

pub fn guess_format(path: &str) -> String

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.

Examples

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

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