Ok, thanks. I figured as much, but wanted to avoid going the long way around if I didn't have to.
On Wed, 13 Mar 2019 at 12:06, Greg Landrum <greg.land...@gmail.com> wrote: > 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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