This is a simple change that allows Compound objects to be created without needing to have a file on disk. It follows a very similar approach to ase: The function now changes whether user passes a string and, if not, assumes it to be a file object.
I also added a dependency to six for making Python 2 compatibility easier, and a unit test to cover this new functionality.
This is a simple change that allows Compound objects to be created without needing to have a file on disk. It follows a very similar approach to
ase: The function now changes whether user passes a string and, if not, assumes it to be a file object.I also added a dependency to six for making Python 2 compatibility easier, and a unit test to cover this new functionality.