$darkmode
|
DENOPTIM
|
A panel that understands DENOPTIM graphs and allows to create and edit them. More...
Classes | |
| class | ConfigTemplateDialog |
| Dialog to configure one or more templates. More... | |
| class | GraphSpinnerChangeEvent |
| class | showHideLabelsListener |
Public Member Functions | |
| void | paint (Graphics g) |
| GUIGraphHandler (GUIMainPanel mainPanel) | |
| Constructor. More... | |
| void | importGraphsFromFile (File file) |
| Imports graphs from file. More... | |
| boolean | hasUnsavedChanges () |
| Check whether there are unsaved changes. More... | |
| void | dispose () |
Public Member Functions inherited from denoptim.gui.GUICardPanel | |
| GUICardPanel (GUIMainPanel mainPanel, String newPanelName) | |
| Constructor for JPanel meant to be a single "card" in the deck of cards. More... | |
| boolean | hasUnsavedChanges () |
| Check for unsaved changes in the components included in this card. More... | |
Static Public Attributes | |
| static AtomicInteger | graphHandlerTabUID |
| Unique identified for instances of this handler. More... | |
| static AtomicInteger | graphUID = new AtomicInteger(1) |
| Unique identified for graphs built here. More... | |
Protected Attributes | |
| ArrayList< DGraph > | dnGraphLibrary |
| The currently loaded list of graphs. More... | |
Protected Attributes inherited from denoptim.gui.GUICardPanel | |
| GUIMainPanel | mainPanel |
| The main panel (cards deck) More... | |
Private Member Functions | |
| void | initialize () |
| Initialize the panel and add buttons. More... | |
| void | enableGraphDependentButtons (boolean enable) |
| void | createEmptyVertexAndPlaceItInGraph (ArrayList< AttachmentPoint > selAps) |
| void | startGraphFromFragSpaceOrCreationOfEmptyVertex () throws DENOPTIMException |
| Start the construction of a new graph from scratch. More... | |
| void | initializeCurrentGraph () |
| void | addChordOnGraph (ArrayList< Vertex > rcvs) |
| Edits the currently loaded graph by adding a chord involving the two selected vertices. More... | |
| void | extendGraphFromFragSpace (ArrayList< AttachmentPoint > selAps) |
| Extends the current graph by appending a node to a specific free AP on the growing graph. More... | |
| void | extendCurrentGraph (AttachmentPoint apOnIncomingVrtx, ArrayList< AttachmentPoint > selAps) |
| void | collectFragAndAPsCompatibleWithSelectedAPs (ArrayList< AttachmentPoint > srcAPs) |
| void | appendGraphsFromConvertingMolecule (File file, FragmenterParameters frgParams, Component parent) |
| void | appendGraphsFromFile (File file) |
| ArrayList< DGraph > | readGraphsFromFile (File file) |
| void | loadCurrentGraphIdxToViewer (boolean keepSprites) |
Loads the graph corresponding to the field currGrphIdx. More... | |
| void | clearCurrentSystem () |
| Clears the current graph viewer but keeps track of the latest graph loaded. More... | |
| void | updateGraphListSpinner () |
| void | loadFragmentSpace () throws Exception |
| void | deprotectEditedSystem () |
| void | protectEditedSystem () |
| void | removeCurrentDnGraph () throws DENOPTIMException |
| void | saveUnsavedChanges () |
Private Attributes | |
| ArrayList< IAtomContainer > | molLibrary |
| The currently loaded list of molecular representations of the graphs. More... | |
| DGraph | dnGraph |
| The unsaved version of the currently loaded graph. More... | |
| int | currGrphIdx = 0 |
| The index of the currently loaded dnGraph [0–(n-1)}. More... | |
| boolean | unsavedChanges = false |
| Flag signaling that loaded data has changes since last save. More... | |
| GraphVertexMolViewerPanel | visualPanel |
| JPanel | graphCtrlPane |
| JPanel | graphNavigPane |
| JButton | btnFragSpace |
| String | loadFSToolTip |
| JPanel | pnlMouseMode |
| JButton | btnPickMode |
| JButton | btnMoveMode |
| JButton | btnAddGraph |
| JButton | btnGraphDel |
| JButton | btnOpenGraphs |
| JSpinner | graphNavigSpinner |
| JLabel | totalGraphsLabel |
| final GraphSpinnerChangeEvent | graphSpinnerListener |
| JPanel | pnlEditVrtxBtns |
| JButton | btnAddLibVrtx |
| JButton | btnAddEmptyVrtx |
| JButton | btnDelSel |
| JButton | btnAddChord |
| JButton | btnAddSymSet |
| JPanel | pnlShowLabels |
| JButton | btnLabAPC |
| JButton | btnLabBT |
| JButton | btnLabBB |
| JPanel | pnlSaveEdits |
| JButton | btnSaveEdits |
| ArrayList< Vertex > | compatVrtxs |
| Subset of vertices for compatible building block selecting GUI. More... | |
| Map< Integer, Integer > | genToLocIDMap |
| Map converting fragIDs in fragment library to fragIDs in subset of compatible fragments. More... | |
| boolean | updateMolViewer = false |
| final String | CONTRACTKEY = "CONTRACT" |
| final String | BBTYPEKEY = "BBTYPE" |
| boolean | painted |
| FragmentSpace | fragSpace = null |
| The fragment space this handler works with. More... | |
Static Private Attributes | |
| static final long | serialVersionUID = 1L |
| Version UID. More... | |
| static final IChemObjectBuilder | builder |
A panel that understands DENOPTIM graphs and allows to create and edit them.
Definition at line 96 of file GUIGraphHandler.java.
| denoptim.gui.GUIGraphHandler.GUIGraphHandler | ( | GUIMainPanel | mainPanel | ) |
Constructor.
Definition at line 234 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.graphHandlerTabUID, denoptim.gui.GUIGraphHandler.initialize(), and denoptim.gui.GUICardPanel.mainPanel.
|
private |
Edits the currently loaded graph by adding a chord involving the two selected vertices.
| rcvs | the selected vertices. Must be two vertices. |
Definition at line 1311 of file GUIGraphHandler.java.
References denoptim.graph.DGraph.addRing(), denoptim.gui.GUIGraphHandler.dnGraph, and denoptim.graph.Edge.BondType.UNDEFINED.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 1557 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.graph.DGraph.embedPatternsInTemplates(), denoptim.programs.fragmenter.FragmenterParameters.embedRingsInTemplate, denoptim.gui.GUIGraphHandler.fragSpace, denoptim.programs.fragmenter.FragmenterParameters.getCuttingRules(), denoptim.programs.fragmenter.FragmenterParameters.getEmbeddedRingsContract(), denoptim.io.IteratingAtomContainerReader.getIteratorType(), denoptim.programs.fragmenter.FragmenterParameters.getLinearAngleLimit(), denoptim.programs.RunTimeParameters.getLogger(), denoptim.programs.fragmenter.FragmenterParameters.getScaffoldingPolicy(), denoptim.io.IteratingAtomContainerReader.hasNext(), denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.ga.EAUtils.makeGraphFromFragmentationOfMol(), denoptim.gui.GUIGraphHandler.molLibrary, denoptim.io.IteratingAtomContainerReader.next(), denoptim.fragmenter.FragmenterTools.prepareMolToFragmentation(), denoptim.graph.GraphPattern.RING, denoptim.programs.fragmenter.FragmenterParameters.setAddExplicitH(), denoptim.programs.fragmenter.FragmenterParameters.setWorkingIn3D(), and denoptim.gui.GUIGraphHandler.updateGraphListSpinner().
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 1686 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.builder, denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.files.FileUtils.detectFileFormat(), denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUIGraphHandler.molLibrary, denoptim.gui.GUIGraphHandler.readGraphsFromFile(), denoptim.io.DenoptimIO.readSDFFile(), and denoptim.gui.GUIGraphHandler.updateGraphListSpinner().
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Clears the current graph viewer but keeps track of the latest graph loaded.
Definition at line 1851 of file GUIGraphHandler.java.
References denoptim.gui.GraphVertexMolViewerPanel.clearCurrentSystem(), denoptim.gui.GUIGraphHandler.dnGraph, and denoptim.gui.GUIGraphHandler.visualPanel.
Referenced by denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), and denoptim.gui.GUIGraphHandler.removeCurrentDnGraph().
|
private |
Definition at line 1460 of file GUIGraphHandler.java.
References denoptim.graph.Vertex.clone(), denoptim.gui.GUIGraphHandler.compatVrtxs, denoptim.gui.GUIGraphHandler.fragSpace, denoptim.gui.GUIGraphHandler.genToLocIDMap, denoptim.fragspace.FragmentSpace.getAPsCompatibleWithThese(), denoptim.graph.Vertex.getProperty(), denoptim.gui.GUIVertexSelector.PRESELECTEDAPSFIELD, denoptim.gui.GUIVertexSelector.PRESELECTEDAPSFIELDSEP, and denoptim.graph.Vertex.setProperty().
Referenced by denoptim.gui.GUIGraphHandler.extendGraphFromFragSpace().
|
private |
Definition at line 1092 of file GUIGraphHandler.java.
References denoptim.graph.DGraph.addVertex(), denoptim.gui.GUIModalDialog.btnDone, denoptim.gui.GUIVertexSelector.ctrlPane, denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.dnGraph, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), denoptim.gui.GUIGraphHandler.extendCurrentGraph(), denoptim.graph.Vertex.getAP(), denoptim.gui.GUIGraphHandler.initializeCurrentGraph(), denoptim.gui.GUIVertexSelector.load(), denoptim.gui.GraphVertexMolViewerPanel.loadDnGraphToViewer(), denoptim.gui.GUIGraphHandler.protectEditedSystem(), denoptim.gui.GraphVertexMolViewerPanel.renderMolVieverToNeedUpdate(), denoptim.gui.GUIVertexSelector.setRequireApSelection(), denoptim.gui.GUIModalDialog.showDialog(), denoptim.gui.GUIGraphHandler.unsavedChanges, denoptim.gui.GUIGraphHandler.updateMolViewer, and denoptim.gui.GUIGraphHandler.visualPanel.
Referenced by denoptim.gui.GUIGraphHandler.initialize(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().
|
private |
Definition at line 1915 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.btnAddGraph, denoptim.gui.GUIGraphHandler.btnOpenGraphs, denoptim.gui.GUIGraphHandler.btnSaveEdits, denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.graphNavigSpinner, denoptim.gui.GUIGraphHandler.graphSpinnerListener, and denoptim.gui.GUIGraphHandler.GraphSpinnerChangeEvent.setEnabled().
Referenced by denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), and denoptim.gui.GUIGraphHandler.saveUnsavedChanges().
| void denoptim.gui.GUIGraphHandler.dispose | ( | ) |
Definition at line 2053 of file GUIGraphHandler.java.
References denoptim.gui.GraphVertexMolViewerPanel.dispose(), and denoptim.gui.GUIGraphHandler.visualPanel.
|
private |
Definition at line 1078 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.btnAddChord, denoptim.gui.GUIGraphHandler.btnAddLibVrtx, denoptim.gui.GUIGraphHandler.btnAddSymSet, denoptim.gui.GUIGraphHandler.btnDelSel, denoptim.gui.GUIGraphHandler.btnLabAPC, denoptim.gui.GUIGraphHandler.btnLabBB, and denoptim.gui.GUIGraphHandler.btnLabBT.
Referenced by denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().
|
private |
Definition at line 1429 of file GUIGraphHandler.java.
References denoptim.graph.DGraph.appendVertexOnAP(), denoptim.graph.Vertex.clone(), denoptim.gui.GUIGraphHandler.dnGraph, denoptim.graph.Vertex.getAP(), denoptim.graph.AttachmentPoint.getIndexInOwner(), denoptim.graph.DGraph.getMaxVertexId(), denoptim.graph.AttachmentPoint.getOwner(), and denoptim.graph.Vertex.setVertexId().
Referenced by denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), and denoptim.gui.GUIGraphHandler.extendGraphFromFragSpace().
|
private |
Extends the current graph by appending a node to a specific free AP on the growing graph.
This method will prompt a question on which incoming fragment to append
| selAps | attachment points on the growing graph. |
Definition at line 1345 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.collectFragAndAPsCompatibleWithSelectedAPs(), denoptim.gui.GUIGraphHandler.compatVrtxs, denoptim.gui.GUIGraphHandler.extendCurrentGraph(), denoptim.gui.GUIGraphHandler.fragSpace, denoptim.graph.Vertex.getAP(), denoptim.fragspace.FragmentSpace.getCappingLibrary(), denoptim.fragspace.FragmentSpace.getFragmentLibrary(), denoptim.gui.GUIVertexSelector.load(), denoptim.gui.GUIVertexSelector.setRequireApSelection(), and denoptim.gui.GUIModalDialog.showDialog().
Referenced by denoptim.gui.GUIGraphHandler.initialize().
| boolean denoptim.gui.GUIGraphHandler.hasUnsavedChanges | ( | ) |
Check whether there are unsaved changes.
true if there are unsaved changes. Reimplemented from denoptim.gui.GUICardPanel.
Definition at line 2042 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.unsavedChanges.
| void denoptim.gui.GUIGraphHandler.importGraphsFromFile | ( | File | file | ) |
Imports graphs from file.
| file | the file to open |
Definition at line 1507 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.builder, denoptim.molecularmodeling.ThreeDimTreeBuilder.convertGraphTo3DAtomContainer(), denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.files.FileUtils.detectFileFormat(), denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUICardPanel.mainPanel, denoptim.gui.GUIGraphHandler.molLibrary, denoptim.gui.GUI.PRNG, denoptim.gui.GUIGraphHandler.readGraphsFromFile(), denoptim.io.DenoptimIO.readSDFFile(), and denoptim.gui.GUIGraphHandler.updateGraphListSpinner().
Referenced by denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIInspectFSERun.initialize(), denoptim.gui.GUIInspectGARun.initialize(), and denoptim.gui.MainToolBar.openFile().
|
private |
Initialize the panel and add buttons.
Definition at line 247 of file GUIGraphHandler.java.
References denoptim.gui.ButtonsBar.add(), denoptim.gui.GUIGraphHandler.addChordOnGraph(), denoptim.graph.DGraph.addSymmetricSetOfVertices(), denoptim.files.FileUtils.addToRecentFiles(), denoptim.gui.GraphViewerPanel.LabelType.APC, denoptim.gui.GUIGraphHandler.appendGraphsFromConvertingMolecule(), denoptim.gui.GUIGraphHandler.appendGraphsFromFile(), denoptim.gui.GraphViewerPanel.LabelType.BBID, denoptim.gui.GUIGraphHandler.BBTYPEKEY, denoptim.gui.GraphViewerPanel.LabelType.BT, denoptim.gui.GUIGraphHandler.btnAddChord, denoptim.gui.GUIGraphHandler.btnAddEmptyVrtx, denoptim.gui.GUIGraphHandler.btnAddGraph, denoptim.gui.GUIGraphHandler.btnAddLibVrtx, denoptim.gui.GUIGraphHandler.btnAddSymSet, denoptim.gui.GUIGraphHandler.btnDelSel, denoptim.gui.GUIGraphHandler.btnFragSpace, denoptim.gui.GUIGraphHandler.btnGraphDel, denoptim.gui.GUIGraphHandler.btnLabAPC, denoptim.gui.GUIGraphHandler.btnLabBB, denoptim.gui.GUIGraphHandler.btnLabBT, denoptim.gui.GUIGraphHandler.btnMoveMode, denoptim.gui.GUIGraphHandler.btnOpenGraphs, denoptim.gui.GUIGraphHandler.btnPickMode, denoptim.gui.GUIGraphHandler.btnSaveEdits, denoptim.gui.GUIGraphHandler.CONTRACTKEY, denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIVertexInspector.dialogToDefineCuttingRules(), denoptim.gui.GUIGraphHandler.dnGraph, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.extendGraphFromFragSpace(), denoptim.files.FileAndFormat.file, denoptim.files.FileAndFormat.format, denoptim.gui.GUIGraphHandler.fragSpace, denoptim.gui.GraphVertexMolViewerPanel.getAPsSelectedInViewer(), denoptim.programs.fragmenter.FragmenterParameters.getCuttingRulesFilePathname(), denoptim.gui.GraphVertexMolViewerPanel.getSelectedNodesInViewer(), denoptim.gui.GUIGraphHandler.graphCtrlPane, denoptim.gui.GUIGraphHandler.graphNavigPane, denoptim.gui.GUIGraphHandler.graphNavigSpinner, denoptim.gui.GUIGraphHandler.graphSpinnerListener, denoptim.gui.GUIGraphHandler.importGraphsFromFile(), denoptim.gui.GraphVertexMolViewerPanel.loadDnGraphToViewer(), denoptim.gui.GUIGraphHandler.loadFragmentSpace(), denoptim.gui.GUIGraphHandler.loadFSToolTip, denoptim.gui.GUIFileOpener.pickFile(), denoptim.gui.GUIFileSaver.pickFileForSavingGraphs(), denoptim.gui.GUIFileSaver.pickFileForSavingVertexes(), denoptim.gui.GUIFileOpener.pickFileWithGraph(), denoptim.gui.GUIGraphHandler.pnlEditVrtxBtns, denoptim.gui.GUIGraphHandler.pnlMouseMode, denoptim.gui.GUIGraphHandler.pnlSaveEdits, denoptim.gui.GUIGraphHandler.pnlShowLabels, denoptim.gui.GUI.PRNG, denoptim.gui.GUIGraphHandler.protectEditedSystem(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), denoptim.graph.DGraph.removeVertex(), denoptim.gui.GraphVertexMolViewerPanel.renderMolVieverToNeedUpdate(), denoptim.gui.GUIGraphHandler.saveUnsavedChanges(), denoptim.graph.Template.setContractLevel(), denoptim.graph.Template.setInnerGraph(), denoptim.gui.GraphVertexMolViewerPanel.setMouseMode(), denoptim.gui.GUIModalDialog.showDialog(), denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex(), denoptim.gui.GUIGraphHandler.totalGraphsLabel, denoptim.gui.GUIGraphHandler.unsavedChanges, denoptim.gui.GUIGraphHandler.updateMolViewer, denoptim.gui.GUIGraphHandler.visualPanel, denoptim.io.DenoptimIO.writeGraphsToFile(), and denoptim.io.DenoptimIO.writeVertexesToFile().
Referenced by denoptim.gui.GUIGraphHandler.GUIGraphHandler().
|
private |
Definition at line 1291 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.builder, denoptim.gui.GraphVertexMolViewerPanel.clearMolecularViewer(), denoptim.gui.GUIGraphHandler.dnGraph, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.graphUID, denoptim.gui.GUIGraphHandler.molLibrary, denoptim.graph.DGraph.setGraphId(), denoptim.gui.GUIGraphHandler.updateGraphListSpinner(), and denoptim.gui.GUIGraphHandler.visualPanel.
Referenced by denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().
|
private |
Loads the graph corresponding to the field currGrphIdx.
Definition at line 1815 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.clearCurrentSystem(), denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.dnGraph, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), denoptim.gui.GraphVertexMolViewerPanel.loadDnGraphToViewer(), denoptim.gui.GUIGraphHandler.molLibrary, and denoptim.gui.GUIGraphHandler.visualPanel.
Referenced by denoptim.gui.GUIGraphHandler.appendGraphsFromConvertingMolecule(), denoptim.gui.GUIGraphHandler.appendGraphsFromFile(), denoptim.gui.GUIGraphHandler.importGraphsFromFile(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), and denoptim.gui.GUIGraphHandler.GraphSpinnerChangeEvent.stateChanged().
|
private |
Definition at line 1903 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.fragSpace, denoptim.gui.FSParamsDialog.makeFragSpace(), denoptim.gui.GraphVertexMolViewerPanel.resetFragViewerCardDeck(), and denoptim.gui.GUIGraphHandler.visualPanel.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
| void denoptim.gui.GUIGraphHandler.paint | ( | Graphics | g | ) |
Definition at line 220 of file GUIGraphHandler.java.
References denoptim.gui.GraphVertexMolViewerPanel.moveDividerLocation(), denoptim.gui.GUIGraphHandler.painted, and denoptim.gui.GUIGraphHandler.visualPanel.
|
private |
Definition at line 1940 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.btnAddGraph, denoptim.gui.GUIGraphHandler.btnOpenGraphs, denoptim.gui.GUIGraphHandler.btnSaveEdits, denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.graphNavigSpinner, denoptim.gui.GUIGraphHandler.graphSpinnerListener, and denoptim.gui.GUIGraphHandler.GraphSpinnerChangeEvent.setEnabled().
Referenced by denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.initialize(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().
|
private |
Definition at line 1742 of file GUIGraphHandler.java.
References denoptim.io.DenoptimIO.readDENOPTIMGraphsFromFile(), denoptim.io.DenoptimIO.readDENOPTIMGraphsFromJSONFile(), and denoptim.io.DenoptimIO.readDENOPTIMGraphsFromSDFile().
Referenced by denoptim.gui.GUIGraphHandler.appendGraphsFromFile(), and denoptim.gui.GUIGraphHandler.importGraphsFromFile().
|
private |
Definition at line 1958 of file GUIGraphHandler.java.
References denoptim.gui.GraphVertexMolViewerPanel.bringCardToTopOfMolViewer(), denoptim.gui.GUIGraphHandler.clearCurrentSystem(), denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GraphVertexMolViewerPanel.EMPTYCARDNAME, denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUIGraphHandler.molLibrary, denoptim.gui.GUIGraphHandler.totalGraphsLabel, denoptim.gui.GUIGraphHandler.updateGraphListSpinner(), and denoptim.gui.GUIGraphHandler.visualPanel.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 2003 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.builder, denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.dnGraph, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.molLibrary, denoptim.constants.DENOPTIMConstants.PROVENANCE, denoptim.gui.GraphVertexMolViewerPanel.updateMolevularViewer(), denoptim.gui.GUIGraphHandler.updateMolViewer, and denoptim.gui.GUIGraphHandler.visualPanel.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Start the construction of a new graph from scratch.
| DENOPTIMException |
Definition at line 1168 of file GUIGraphHandler.java.
References denoptim.graph.DGraph.addVertex(), denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.dnGraph, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), denoptim.graph.Vertex.BBType.FRAGMENT, denoptim.gui.GUIGraphHandler.fragSpace, denoptim.fragspace.FragmentSpace.getFragmentLibrary(), denoptim.fragspace.FragmentSpace.getScaffoldLibrary(), denoptim.gui.GUIGraphHandler.initializeCurrentGraph(), denoptim.gui.GUIVertexSelector.load(), denoptim.gui.GraphVertexMolViewerPanel.loadDnGraphToViewer(), denoptim.graph.Vertex.newVertexFromLibrary(), denoptim.gui.GUIGraphHandler.protectEditedSystem(), denoptim.graph.Vertex.BBType.SCAFFOLD, denoptim.gui.GUIVertexSelector.setRequireApSelection(), denoptim.gui.GUIModalDialog.showDialog(), denoptim.gui.GUIGraphHandler.unsavedChanges, denoptim.gui.GUIGraphHandler.updateMolViewer, and denoptim.gui.GUIGraphHandler.visualPanel.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 1860 of file GUIGraphHandler.java.
References denoptim.gui.GUIGraphHandler.currGrphIdx, denoptim.gui.GUIGraphHandler.dnGraphLibrary, denoptim.gui.GUIGraphHandler.graphNavigSpinner, and denoptim.gui.GUIGraphHandler.totalGraphsLabel.
Referenced by denoptim.gui.GUIGraphHandler.appendGraphsFromConvertingMolecule(), denoptim.gui.GUIGraphHandler.appendGraphsFromFile(), denoptim.gui.GUIGraphHandler.importGraphsFromFile(), denoptim.gui.GUIGraphHandler.initializeCurrentGraph(), and denoptim.gui.GUIGraphHandler.removeCurrentDnGraph().
|
private |
Definition at line 208 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.ConfigTemplateDialog.ConfigTemplateDialog(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 177 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 175 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 163 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.initialize(), and denoptim.gui.GUIGraphHandler.protectEditedSystem().
|
private |
Definition at line 174 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 178 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 176 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 152 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 164 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 181 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 183 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 182 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.enableGraphDependentButtons(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 161 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 166 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.initialize(), and denoptim.gui.GUIGraphHandler.protectEditedSystem().
|
private |
Definition at line 160 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 186 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.initialize(), and denoptim.gui.GUIGraphHandler.protectEditedSystem().
|
staticprivate |
Definition at line 204 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.appendGraphsFromFile(), denoptim.gui.GUIGraphHandler.importGraphsFromFile(), denoptim.gui.GUIGraphHandler.initializeCurrentGraph(), and denoptim.gui.GUIGraphHandler.saveUnsavedChanges().
|
private |
Subset of vertices for compatible building block selecting GUI.
These vertices are clones of those in the loaded library, and are annotate with fragmentID and AP pointers meant to facilitate a quick selection of compatible connections.
Definition at line 194 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.collectFragAndAPsCompatibleWithSelectedAPs(), and denoptim.gui.GUIGraphHandler.extendGraphFromFragSpace().
|
private |
Definition at line 207 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.ConfigTemplateDialog.ConfigTemplateDialog(), and denoptim.gui.GUIGraphHandler.initialize().
|
private |
The index of the currently loaded dnGraph [0–(n-1)}.
Definition at line 135 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.appendGraphsFromConvertingMolecule(), denoptim.gui.GUIGraphHandler.appendGraphsFromFile(), denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.importGraphsFromFile(), denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUIGraphHandler.protectEditedSystem(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), denoptim.gui.GUIGraphHandler.saveUnsavedChanges(), denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex(), denoptim.gui.GUIGraphHandler.GraphSpinnerChangeEvent.stateChanged(), and denoptim.gui.GUIGraphHandler.updateGraphListSpinner().
|
private |
The unsaved version of the currently loaded graph.
Definition at line 125 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.addChordOnGraph(), denoptim.gui.GUIGraphHandler.clearCurrentSystem(), denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.extendCurrentGraph(), denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIGraphHandler.initializeCurrentGraph(), denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUIGraphHandler.saveUnsavedChanges(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().
|
protected |
The currently loaded list of graphs.
Definition at line 112 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.appendGraphsFromConvertingMolecule(), denoptim.gui.GUIGraphHandler.appendGraphsFromFile(), denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.importGraphsFromFile(), denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIGraphHandler.initializeCurrentGraph(), denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), denoptim.gui.GUIGraphHandler.saveUnsavedChanges(), denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex(), and denoptim.gui.GUIGraphHandler.updateGraphListSpinner().
|
private |
The fragment space this handler works with.
Definition at line 215 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.appendGraphsFromConvertingMolecule(), denoptim.gui.GUIGraphHandler.collectFragAndAPsCompatibleWithSelectedAPs(), denoptim.gui.GUIGraphHandler.extendGraphFromFragSpace(), denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIGraphHandler.loadFragmentSpace(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().
|
private |
Map converting fragIDs in fragment library to fragIDs in subset of compatible fragments.
Definition at line 200 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.collectFragAndAPsCompatibleWithSelectedAPs().
|
private |
Definition at line 146 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
static |
Unique identified for instances of this handler.
Definition at line 106 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.GUIGraphHandler().
|
private |
Definition at line 149 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 168 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIGraphHandler.protectEditedSystem(), denoptim.gui.GUIGraphHandler.GraphSpinnerChangeEvent.stateChanged(), and denoptim.gui.GUIGraphHandler.updateGraphListSpinner().
|
private |
Definition at line 170 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.deprotectEditedSystem(), denoptim.gui.GUIGraphHandler.initialize(), and denoptim.gui.GUIGraphHandler.protectEditedSystem().
|
static |
Unique identified for graphs built here.
Definition at line 130 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initializeCurrentGraph().
|
private |
Definition at line 153 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
The currently loaded list of molecular representations of the graphs.
Definition at line 119 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.appendGraphsFromConvertingMolecule(), denoptim.gui.GUIGraphHandler.appendGraphsFromFile(), denoptim.gui.GUIGraphHandler.importGraphsFromFile(), denoptim.gui.GUIGraphHandler.initializeCurrentGraph(), denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), and denoptim.gui.GUIGraphHandler.saveUnsavedChanges().
|
private |
Definition at line 210 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.paint().
|
private |
Definition at line 173 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 159 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 185 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
private |
Definition at line 180 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize().
|
staticprivate |
Version UID.
Definition at line 101 of file GUIGraphHandler.java.
|
private |
Definition at line 169 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), and denoptim.gui.GUIGraphHandler.updateGraphListSpinner().
|
private |
Flag signaling that loaded data has changes since last save.
Definition at line 140 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.hasUnsavedChanges(), denoptim.gui.GUIGraphHandler.initialize(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().
|
private |
Definition at line 202 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIGraphHandler.saveUnsavedChanges(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().
|
private |
Definition at line 143 of file GUIGraphHandler.java.
Referenced by denoptim.gui.GUIGraphHandler.showHideLabelsListener.actionPerformed(), denoptim.gui.GUIGraphHandler.clearCurrentSystem(), denoptim.gui.GUIGraphHandler.createEmptyVertexAndPlaceItInGraph(), denoptim.gui.GUIGraphHandler.dispose(), denoptim.gui.GUIGraphHandler.initialize(), denoptim.gui.GUIGraphHandler.initializeCurrentGraph(), denoptim.gui.GUIGraphHandler.loadCurrentGraphIdxToViewer(), denoptim.gui.GUIGraphHandler.loadFragmentSpace(), denoptim.gui.GUIGraphHandler.paint(), denoptim.gui.GUIGraphHandler.removeCurrentDnGraph(), denoptim.gui.GUIGraphHandler.saveUnsavedChanges(), and denoptim.gui.GUIGraphHandler.startGraphFromFragSpaceOrCreationOfEmptyVertex().