X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FStructureChooser.java;h=0823652ea51b1c3b3649c36defdd9ef9b57f0e8c;hb=2ee5edd84da7c509efc15d241527fa62093b41c7;hp=5612469beb7355f43d0016b16a97456f34273b3d;hpb=a67002917b669aaff650904ec4353f8c70866cc8;p=jalview.git diff --git a/src/jalview/gui/StructureChooser.java b/src/jalview/gui/StructureChooser.java index 5612469..0823652 100644 --- a/src/jalview/gui/StructureChooser.java +++ b/src/jalview/gui/StructureChooser.java @@ -25,6 +25,7 @@ import java.awt.event.ActionEvent; import java.awt.event.ActionListener; import java.awt.event.ItemEvent; import java.io.File; +import java.io.IOException; import java.util.ArrayList; import java.util.Collection; import java.util.HashSet; @@ -43,10 +44,13 @@ import javax.swing.JTable; import javax.swing.SwingUtilities; import javax.swing.table.AbstractTableModel; +import org.json.simple.parser.ParseException; + import jalview.api.structures.JalviewStructureDisplayI; import jalview.bin.Cache; import jalview.bin.Console; import jalview.bin.Jalview; +import jalview.datamodel.AlignmentI; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; import jalview.fts.api.FTSData; @@ -63,6 +67,7 @@ import jalview.gui.structurechooser.ThreeDBStructureChooserQuerySource; import jalview.io.DataSourceType; import jalview.io.JalviewFileChooser; import jalview.io.JalviewFileView; +import jalview.io.StructureFile; import jalview.jbgui.FilterOption; import jalview.jbgui.GStructureChooser; import jalview.structure.StructureImportSettings.TFType; @@ -73,6 +78,7 @@ import jalview.util.Platform; import jalview.util.StringUtils; import jalview.ws.DBRefFetcher; import jalview.ws.DBRefFetcher.FetchFinishedListenerI; +import jalview.ws.dbsources.EBIAlfaFold; import jalview.ws.seqfetcher.DbSourceProxy; import jalview.ws.sifts.SiftsSettings; @@ -1262,8 +1268,19 @@ public class StructureChooser extends GStructureChooser } else if (currentView == VIEWS_FROM_FILE) { - SequenceI userSelectedSeq = ((AssociateSeqOptions) fileChooserAssSeqPanel - .getCmb_assSeq().getSelectedItem()).getSequence(); + + // TEMPFAC NOT WORKING + TFType tft = (TFType) StructureChooser.this.combo_tempFacAs + .getSelectedItem(); + if (tft != null && tft != TFType.DEFAULT) + { + ssm.setAddTempFacAnnot(true); + } + + AssociateSeqOptions assSeqOpt = (AssociateSeqOptions) fileChooserAssSeqPanel + .getCmb_assSeq().getSelectedItem(); + + SequenceI userSelectedSeq = assSeqOpt.getSequence(); if (userSelectedSeq != null) { selectedSequence = userSelectedSeq; @@ -1272,21 +1289,30 @@ public class StructureChooser extends GStructureChooser .associatePdbWithSeq(selectedPdbFileName, DataSourceType.FILE, selectedSequence, true, Desktop.instance); - /* LOOK AT - public PDBEntry associatePdbWithSeq(String choice, DataSourceType file, - SequenceI sequence, boolean prompt, - StructureSelectionManagerProvider ssmp) - IN AssociatePdbFileWithSeq */ + List seqList = new ArrayList<>(); + seqList.add(selectedSequence); + SequenceI[] seqArray = new SequenceI[] { selectedSequence }; + StructureFile sf = ssm.computeMapping(true, seqArray, null, + selectedPdbFileName, DataSourceType.FILE, null); + // EBIAlfaFold.addAlphaFoldPAEToStructure(pdbAlignment, pae, index, + // structIdOrFile, isStructId); + StructureMapping[] sm = ssm.getMapping(fileEntry.getFile()); // DO SOMETHING WITH - if (StructureChooser.this.localPdbPaeMatrixFileName != null) + String paeFilename = StructureChooser.this.localPdbPaeMatrixFileName; + File paeFile = paeFilename == null ? null : new File(paeFilename); + if (paeFilename != null && paeFile.exists()) { - - } - if (StructureChooser.this.combo_tempFacAs - .getSelectedItem() != null) - { - + AlignmentI al = StructureChooser.this.ap.getAlignment(); + try + { + EBIAlfaFold.importPaeJSONAsContactMatrixToSequence(al, + paeFile, -1, selectedSequence.getName()); + } catch (IOException | ParseException e) + { + // TODO Auto-generated catch block + e.printStackTrace(); + } } sViewer = launchStructureViewer(ssm, new PDBEntry[] { fileEntry },