Open mattwthompson opened 4 years ago
Sounds reasonable, .ffxml
might be better for SEO someday so we don't conflict with fxml. We could also have a tag like this <foyer_xml version="0.7">
so that we can track changes we make to our schema and know what tags to expect when parsing.
There are now a few force field XML formats: the original OpenMM XML, Foyer's soft fork, Open Force Field's flavor (https://github.com/openforcefield/openforcefields/tree/master/openforcefields/offxml), and another we are developing in the backend. To somewhat clarify compatibility, I propose we introduce a Foyer-specific file extension that explicitly tells a loader that a given XML is meant to be a Foyer XML. This can be
.foyerxml
,.fxml
, or something else, I don't have a strong preference. This would involvefile.xml
is passed (i.e."Reading file in as a Foyer XML, consider changing the file extension to .foyerxml"
)file.xml
is passed, thus making this a non-breaking changeWhat do you think @mosdef-hub/mosdef-contributors?