Yes, you are correct that compute2DCoords is in the wrapper. I had trouble finding it since I wasn't sure how to discover what was definitively exposed. I figured out that you can use the "Object Browser" view in Visual Studio for this purpose: it works well. For future readers' reference, you can get to the Object Browser by right-clicking on the RDKit2DotNet.dll entry in the References list in the project.
Thanks again for your help with this. I'll keep watch on the issue number you posted. On Wed, Jan 23, 2019 at 3:30 AM Greg Landrum <greg.land...@gmail.com> wrote: > compute2DCoords is definitely in the wrapper, check to see if you have the > case wrong. > > I will make sure generateDepictionMatching2DStructure ends up in the > wrappers for the next version. Here's the issue: > https://github.com/rdkit/rdkit/issues/2239 > Once the issue is resolved, you can take a look at the code to see how > that is done. > > -greg > > > On Sun, Jan 20, 2019 at 11:08 PM Good Eats <goodeat...@gmail.com> wrote: > >> Okay Thanks Greg. >> >> After more digging, I can confirm that GenerateDepictionMatching2DStructure >> is not included in the C#/Java wrapper. In addition, the Compute2DCoords >> function (upon which GenerateDepictionMatching2DStructure is built) is >> also not exposed in the wrapper. Can anyone point me to an example of >> how I can rebuild the wrapper with these extra functions included? >> >> Thank you. >> >> On Tue, Jan 15, 2019 at 9:56 AM Greg Landrum <greg.land...@gmail.com> >> wrote: >> >>> >>> On Mon, Jan 14, 2019 at 9:39 PM Good Eats <goodeat...@gmail.com> wrote: >>> >>>> >>>> A followup question: the reason I am looking to use RDKit in VB.NET is >>>> in order to call the 2D alignment >>>> function GenerateDepictionMatching2DStructure (perhaps AlignMolToTemplate2D >>>> might also work here). However, I'm not certain that either of these >>>> functions are exposed through the C# wrapper as I do not see them in the >>>> available functions in RDKFuncs.dll. Is there a definitive way to tell what >>>> subset of the RDKit is exposed in the RDKit2DotNet C# wrapper? >>>> >>> >>> Unfortunately not; this would be convenient from both the C# and Java >>> sides but does not currently exist (and I don't know how to create it). >>> >>> -greg >>> >>> >>> >>
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