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Need to switch to MDLV3000Reader depending on content. Attempt to read the attached dg_568.json
hits the limits of V2000 SDF files, so, mu must implement the switch to V3000 as a catch for exception:
org.openscience.cdk.io.MDLV2000Reader ERROR: Error while parsing line 4: 0 0 0 0 0 999 V3000 -> This file must be read with the MDLV3000Reader.
org.openscience.cdk.exception.CDKException: Only supports AtomContainer objects.
at org.openscience.cdk.io.MDLV3000Reader.read(MDLV3000Reader.java:154)
at denoptim.io.DenoptimIO.readAllAtomContainers(DenoptimIO.java:329)
at denoptim.gui.MoleculeViewPanel.loadChemicalStructureFromFile(MoleculeViewPanel.java:339)
at denoptim.gui.MoleculeViewPanel.loadChemicalStructure(MoleculeViewPanel.java:281)
at denoptim.gui.GraphVertexMolViewerPanel.loadDnGraphToViewer(GraphVertexMolViewerPanel.java:250)
at denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(GUIGraphHandler.java:1829)
at denoptim.gui.GUIGraphHandler.importGraphsFromFile(GUIGraphHandler.java:1550)
at denoptim.gui.MainToolBar.openFile(MainToolBar.java:502)
at denoptim.gui.GUI.run(GUI.java:192)
...
The text was updated successfully, but these errors were encountered:
Need to switch to MDLV3000Reader depending on content. Attempt to read the attached
dg_568.json
hits the limits of V2000 SDF files, so, mu must implement the switch to V3000 as a catch for exception:
The text was updated successfully, but these errors were encountered: