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 <[email protected]> 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 <[email protected]<mailto:[email protected]>> 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 [email protected]<mailto:[email protected]> https://lists.sourceforge.net/lists/listinfo/cdk-user
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