two "structure" columns?

Hi,





The following error occurs when I try to merge based on a ID and import a new column with chemical scaffolds of original structures. These scaffolds are stored in a smiles file, and the ID is the first field.

Code:

java.lang.NullPointerException    at com.im.ijc.core.io.quickimport.QuickImportVisualPanel2$UniversalListCellRenderer.getListCellRendererComponent(QuickImportVisualPanel2.java:1138)    at javax.swing.plaf.basic.BasicListUI.updateLayoutState(Unknown Source)    at javax.swing.plaf.basic.BasicListUI.maybeUpdateLayoutState(Unknown Source)    at javax.swing.plaf.basic.BasicListUI.paintImpl(Unknown Source)    at javax.swing.plaf.basic.BasicListUI.paint(Unknown Source)    at javax.swing.plaf.ComponentUI.update(Unknown Source)    at javax.swing.JComponent.paintComponent(Unknown Source)    at javax.swing.JComponent.paint(Unknown Source)    at javax.swing.JComponent.paintToOffscreen(Unknown Source)    at javax.swing.BufferStrategyPaintManager.paint(Unknown Source)    at javax.swing.RepaintManager.paint(Unknown Source)    at javax.swing.JComponent._paintImmediately(Unknown Source)    at javax.swing.JComponent.paintImmediately(Unknown Source)    at javax.swing.RepaintManager.paintDirtyRegions(Unknown Source)    at javax.swing.RepaintManager.paintDirtyRegions(Unknown Source)    at javax.swing.RepaintManager.seqPaintDirtyRegions(Unknown Source) [catch] at javax.swing.SystemEventQueueUtilities$ComponentWorkRequest.run(Unknown Source)    at java.awt.event.InvocationEvent.dispatch(Unknown Source)    at java.awt.EventQueue.dispatchEvent(Unknown Source)    at java.awt.EventDispatchThread.pumpOneEventForFilters(Unknown Source)    at java.awt.EventDispatchThread.pumpEventsForFilter(Unknown Source)    at java.awt.EventDispatchThread.pumpEventsForFilter(Unknown Source)    at java.awt.Dialog$1.run(Unknown Source)    at java.awt.Dialog$3.run(Unknown Source)    at java.security.AccessController.doPrivileged(Native Method)    at java.awt.Dialog.show(Unknown Source)    at org.netbeans.core.windows.services.NbPresenter.superShow(NbPresenter.java:812)    at org.netbeans.core.windows.services.NbPresenter.doShow(NbPresenter.java:846)    at org.netbeans.core.windows.services.NbPresenter.run(NbPresenter.java:834)    at org.netbeans.core.windows.services.NbPresenter.run(NbPresenter.java:82)    at org.openide.util.Mutex.doEventAccess(Mutex.java:1201)    at org.openide.util.Mutex.readAccess(Mutex.java:220)    at org.netbeans.core.windows.services.NbPresenter.show(NbPresenter.java:819)    at java.awt.Component.show(Unknown Source)    at java.awt.Component.setVisible(Unknown Source)    at java.awt.Window.setVisible(Unknown Source)    at java.awt.Dialog.setVisible(Unknown Source)    at org.netbeans.core.NotifyExcPanel.updateState(NotifyExcPanel.java:355)    at org.netbeans.core.NotifyExcPanel.access$400(NotifyExcPanel.java:68)    at org.netbeans.core.NotifyExcPanel$2.run(NotifyExcPanel.java:287)    at java.awt.event.InvocationEvent.dispatch(Unknown Source)    at java.awt.EventQueue.dispatchEvent(Unknown Source)    at java.awt.EventDispatchThread.pumpOneEventForFilters(Unknown Source)    at java.awt.EventDispatchThread.pumpEventsForFilter(Unknown Source)    at java.awt.EventDispatchThread.pumpEventsForFilter(Unknown Source)    at java.awt.Dialog$1.run(Unknown Source)    at java.awt.Dialog$3.run(Unknown Source)    at java.security.AccessController.doPrivileged(Native Method)    at java.awt.Dialog.show(Unknown Source)    at org.netbeans.core.windows.services.NbPresenter.superShow(NbPresenter.java:812)    at org.netbeans.core.windows.services.NbPresenter.doShow(NbPresenter.java:846)    at org.netbeans.core.windows.services.NbPresenter.run(NbPresenter.java:834)    at org.netbeans.core.windows.services.NbPresenter.run(NbPresenter.java:82)    at org.openide.util.Mutex.doEventAccess(Mutex.java:1201)    at org.openide.util.Mutex.readAccess(Mutex.java:220)    at org.netbeans.core.windows.services.NbPresenter.show(NbPresenter.java:819)    at java.awt.Component.show(Unknown Source)    at java.awt.Component.setVisible(Unknown Source)    at java.awt.Window.setVisible(Unknown Source)    at java.awt.Dialog.setVisible(Unknown Source)    at com.im.ijc.core.io.quickimport.QuickImportWizardAction.performAction(QuickImportWizardAction.java:137)    at org.openide.util.actions.CallableSystemAction$1.run(CallableSystemAction.java:96)    at org.netbeans.modules.openide.util.ActionsBridge.doPerformAction(ActionsBridge.java:55)    at org.openide.util.actions.CallableSystemAction.actionPerformed(CallableSystemAction.java:92)    at javax.swing.AbstractButton.fireActionPerformed(Unknown Source)    at javax.swing.AbstractButton$Handler.actionPerformed(Unknown Source)    at javax.swing.DefaultButtonModel.fireActionPerformed(Unknown Source)    at javax.swing.DefaultButtonModel.setPressed(Unknown Source)    at javax.swing.AbstractButton.doClick(Unknown Source)    at javax.swing.plaf.basic.BasicMenuItemUI.doClick(Unknown Source)    at javax.swing.plaf.basic.BasicMenuItemUI$Handler.mouseReleased(Unknown Source)    at java.awt.Component.processMouseEvent(Unknown Source)    at javax.swing.JComponent.processMouseEvent(Unknown Source)    at java.awt.Component.processEvent(Unknown Source)    at java.awt.Container.processEvent(Unknown Source)    at java.awt.Component.dispatchEventImpl(Unknown Source)    at java.awt.Container.dispatchEventImpl(Unknown Source)    at java.awt.Component.dispatchEvent(Unknown Source)    at java.awt.LightweightDispatcher.retargetMouseEvent(Unknown Source)    at java.awt.LightweightDispatcher.processMouseEvent(Unknown Source)    at java.awt.LightweightDispatcher.dispatchEvent(Unknown Source)    at java.awt.Container.dispatchEventImpl(Unknown Source)    at java.awt.Window.dispatchEventImpl(Unknown Source)    at java.awt.Component.dispatchEvent(Unknown Source)    at java.awt.EventQueue.dispatchEvent(Unknown Source)    at java.awt.EventDispatchThread.pumpOneEventForFilters(Unknown Source)    at java.awt.EventDispatchThread.pumpEventsForFilter(Unknown Source)    at java.awt.EventDispatchThread.pumpEventsForHierarchy(Unknown Source)    at java.awt.EventDispatchThread.pumpEvents(Unknown Source)    at java.awt.EventDispatchThread.pumpEvents(Unknown Source)    at java.awt.EventDispatchThread.run(Unknown Source)

Thank you in advance,





Best regards,





ISI

IJC does not currently support multiple structure columns.


You could of course handle the smiles string as a text field, but it won't be displayed as a structure.





We are looking into how we can better support the need for multiple structure fields and hope to enable this in the future.





As a possible solution is that you could import the additional data into a second structure table and create a one-to-one relationship between the two tables using the fields that are in common.





Tim