Hi James, There's not currently anything implemented for this aside from manually splitting the file using string operations.
The reason the RDKit does not have a Supplier for working with RDFiles is the general lack of publicly available collections of RDFiles that could be used for testing. If anyone could help with this part, I'm sure we could come up with an RDReactionSupplier. -greg On Wed, Mar 13, 2019 at 12:17 PM James Wallace <jeawall...@gmail.com> wrote: > I know there are MolSuppliers and ForwardMolSuppliers for handling > multiple entries in a stream-like way from SDFiles, but I don’t see a > reaction equivalent for RDFiles. My use case is one in which users have > submitted multiple sketched reactions as RXN, for each to be validated and > considered on its own merits, but I only see these as part of one file > object. I’m reluctant to do string operations to split the file up, because > it would forego the RDKit validity and make assumptions about the file > format. > > > I'm working with the Python build if that's not obvious. > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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