xnn.ffnn.models.dreidinglib.read_dreiding#

xnn.ffnn.models.dreidinglib.read_dreiding(spec='dreiding')[source]#

Read a DREIDING library from a .frc variant or a native JSON.

Parameters:

spec (str or Path, optional) – "dreiding" (the shipped Lennard-Jones variant, the default), "dreiding/X6" (the shipped exponential-6 variant), a .frc path ("file.frc:variant" to pick one of several), or a native JSON path written by DreidingLibrary.save().

Returns:

The library.

Return type:

DreidingLibrary

Raises:

ValueError – If the resolved force field is not of the DREIDING form.