In that case it should be stored as the "up_or_down" and looking at NCDK it looks correct to me:
MDL reader https://github.com/kazuyaujihara/NCDK/blob/master/NCDK/IO/MDLV2000Reader.cs#L1359 MDL write https://github.com/kazuyaujihara/NCDK/blob/master/NCDK/IO/MDLV2000Writer.cs#L577 Again this could be a JChemPaint issue using the old "MDLReader/Writer". On Wed, 1 Apr 2020 at 14:17, Shao Frankro <frankro3...@outlook.com> wrote: > Actually I am using C# with NCDK <https://github.com/kazuyaujihara/NCDK>, > But I don't found Bond "Display" property of it, maybe it hasn't been > updated yet. > Anyway, must I write my own file format writer? I thought there would be a > serialization method of CDK/NCDK. : ) > > ------------------------------ > John Mayfield <john.wilkinson...@gmail.com> > 2020-4-1 20:00 > Re: [Cdk-user] How can I save a wavy bond in a file? > > Yes they are round tripped by MDL (BondStereo.UP_OR_DOWN) for sure, > however could be a JChemPaint issue - and that's no longer actively > developed. > > Corner-case but are you using a JChemPaint release or built one yourself? > If you've mixed in a new version of CDK it may be tripped up with the new > Bond "Display" property. > > > https://github.com/cdk/cdk/blob/master/base/interfaces/src/main/java/org/openscience/cdk/interfaces/IBond.java#L137 > > On Wed, 1 Apr 2020 at 04:31, Shao Frankro <frankro3...@outlook.com> wrote: > > Dear all, > I am reading the source code of JChemPaint and writing a molecule > editor based on CDK. I found the wavy bonds become solid bonds when I > save them to a MDL/CML format file and reopen it in JChemPaint. > So I want to know if there's any file format or any way that can save > all the informations of CDK's memory model to a file and I cound reload > it(maybe like serialization and deserialization), If not, what is the > easiest way to achieve this? > > Thanks for your help! > > > PS: I found the CDKSourceCodeWriter may save the informations of CDK's > memory model, but I don't know how to use these codes and it also > lose Stereo information. > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user > >
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