CDXMLSlideGenerator doesn't work with salts or any other "multi-fragment" chemical structure because currently CDXMLSlideGenerator just takes the first fragment in the file and adds that to the slide. A molecule inside ChemDraw is represented as a fragment object. So in a salt, there are at least 2 such fragments. If they are drawn by hand and not grouped, there is no way to know which fragments belong to each other. If you create a salt by Name2Structure, then it is grouped correctly.
Note: Grouping is currently also not taken into account.
Possible solutions:
support grouping and require user to have salts grouped (technically correct, practically problematic especially with lots of legacy structures from a database)
take all fragments in the file and if there are too many you will simply get a very tiny view of these molecules
Second option seems for usable for the real-world albeit "less correct". One could also imagine that all fragments in a file are taken as separate molecules and arranged in the grid accordingly. So for that one would have to rely on grouping again.
CDXMLSlideGenerator
doesn't work with salts or any other "multi-fragment" chemical structure because currentlyCDXMLSlideGenerator
just takes the firstfragment
in the file and adds that to the slide. A molecule inside ChemDraw is represented as afragment
object. So in a salt, there are at least 2 suchfragments
. If they are drawn by hand and not grouped, there is no way to know which fragments belong to each other. If you create a salt by Name2Structure, then it is grouped correctly.Note: Grouping is currently also not taken into account.
Possible solutions:
Second option seems for usable for the real-world albeit "less correct". One could also imagine that all fragments in a file are taken as separate molecules and arranged in the grid accordingly. So for that one would have to rely on grouping again.