Here is a list of all class members with links to the classes they belong to:
- c -
- c : denoptim.ga.EAUtilsTest, denoptim.graph.DGraphTest
- CACTVS : denoptim.gui.GUIPreferences.SMITo3DEngine
- calcDate() : denoptim.logging.HTMLLogFormatter
- calculate() : denoptim.fitness.descriptors.SocketProvidedDescriptor, denoptim.fitness.descriptors.TanimotoMolSimilarity, denoptim.fitness.descriptors.TanimotoMolSimilarityBySubstructure
- calculateAngle() : denoptim.utils.MathUtils
- calculateCentroid() : denoptim.utils.MoleculeUtils
- calculateCompatibilityOfAllRCAPairs() : denoptim.graph.rings.RingSizeManager
- calculateDescriptors() : denoptim.graph.rings.RingClosure
- call() : denoptim.combinatorial.GraphBuildingTask, denoptim.fragmenter.ConformerExtractorTask, denoptim.fragmenter.FragmenterTask, denoptim.ga.OffspringEvaluationTask, denoptim.programs.fitnessevaluator.FitnessEvaluationTask, denoptim.task.ProgramTask
- canBeScaffold : denoptim.gui.GUIEmptyVertexMaker
- canBeUsedForRingFusion() : denoptim.ga.EAUtils
- canCoexistWith() : denoptim.graph.rings.CyclicGraphHandler.ClosableConf
- candFragsPerAP : denoptim.fragspace.FragsCombinationIterator
- Candidate() : denoptim.graph.Candidate
- candidate : denoptim.graph.DGraph
- CANDIDATE2DEXTENSION : denoptim.constants.DENOPTIMConstants
- CandidateLW() : denoptim.graph.CandidateLW
- CANDIDATESDF : denoptim.files.FileFormat
- candidatesToAdd : denoptim.ga.EvolutionaryAlgorithm
- candidatesToRemove : denoptim.ga.EvolutionaryAlgorithm
- candsPerGeneration : denoptim.gui.GUIInspectGARun
- candsWithFitnessMap : denoptim.gui.GUIInspectGARun
- canWriteAndReadTo() : denoptim.files.FileUtils
- cap : denoptim.graph.DGraphTest
- CAP : denoptim.graph.Vertex.BBType, denoptim.gui.GraphViewerPanel.JVertexType
- CAPP : denoptim.graph.DGraphTest
- cappingLib : denoptim.fragspace.FragmentSpace
- cappingLibFile : denoptim.fragspace.FragmentSpaceParameters
- cappingMap : denoptim.fragspace.FragmentSpace, denoptim.gui.CompatibilityMatrixForm
- CDK : denoptim.gui.GUIPreferences.SMITo3DEngine
- cdkBuilder : denoptim.fitness.DescriptorForFitness, denoptim.fitness.descriptors.TanimotoMolSimilarity
- CEBL_PARAMS : denoptim.programs.RunTimeParameters.ParametersType
- CEBLParameters() : denoptim.programs.combinatorial.CEBLParameters
- ceblSettings : denoptim.combinatorial.GraphBuildingTask
- centerGraphLayout() : denoptim.gui.GraphViewerPanel
- centralPanel : denoptim.gui.CuttingRulesSelectionDialog, denoptim.gui.GUIAPClassDefinitionDialog, denoptim.gui.GUIEmptyVertexMaker, denoptim.gui.GUIGraphHandler.ConfigTemplateDialog, denoptim.gui.GUIInspectFSERun, denoptim.gui.GUIInspectGARun, denoptim.gui.GUIPreferencesDialog, denoptim.gui.VertexViewPanel
- centroid : denoptim.fragmenter.DynamicCentroidCluster
- centroidOf() : denoptim.utils.MathUtils
- chainID : denoptim.graph.rings.PathSubGraph, denoptim.graph.rings.RingClosingConformations
- ChainLink() : denoptim.graph.rings.ChainLink
- CHANGEBRANCH : denoptim.utils.MutationType
- changeBy() : denoptim.logging.Monitor
- changedUpdate() : denoptim.gui.ParametersForm.FieldListener
- CHANGELINK : denoptim.utils.MutationType
- changeSignOfVertexID() : denoptim.graph.DGraph
- CHANGEVERTEX : denoptim.utils.GraphEdit.EditTask
- chartByLevel : denoptim.gui.GUIInspectFSERun
- chartBySorted : denoptim.gui.GUIInspectFSERun
- chartHolderPanel : denoptim.gui.GUIInspectFSERun
- chartPanelByLevel : denoptim.gui.GUIInspectFSERun
- chartPanelSorted : denoptim.gui.GUIInspectFSERun
- chartPointSize : denoptim.gui.GUIPreferences
- checkAndAddXoverSites() : denoptim.ga.GraphOperations
- checkAvailNT() : denoptim.graph.AttachmentPointTest
- checkChelatesGraph() : denoptim.graph.rings.CyclicGraphHandler
- checkClosabilityOfInterdependentPaths() : denoptim.graph.rings.CyclicGraphHandler
- checkConsistency() : denoptim.graph.DGraph
- checkedFlags : denoptim.gui.ParametersForm
- checkElementalAnalysisAgainstFormula() : denoptim.fragmenter.FragmenterTools
- checkExists() : denoptim.files.FileUtils
- checkForException() : denoptim.ga.EvolutionaryAlgorithm
- checkFormula : denoptim.programs.fragmenter.FragmenterParameters
- checkGetEdgeUserThroughput() : denoptim.graph.AttachmentPointTest
- checkIdentityOfEmbeddedAP() : denoptim.graph.AttachmentPointTest
- checkInput() : denoptim.gui.GUIPreferencesDialog
- checkInterdependentChains() : denoptim.graph.rings.RingClosureParameters
- checkInterdepPaths : denoptim.graph.rings.RingClosureParameters
- checkOtherParameters() : denoptim.programs.RunTimeParameters
- checkParameters() : denoptim.fitness.FitnessParameters, denoptim.fragspace.FragmentSpaceParameters, denoptim.graph.rings.RingClosureParameters, denoptim.programs.combinatorial.CEBLParameters, denoptim.programs.denovo.GAParameters, denoptim.programs.fitnessevaluator.FRParameters, denoptim.programs.fragmenter.FragmenterParameters, denoptim.programs.genetweeker.GeneOpsRunnerParameters, denoptim.programs.grapheditor.GraphEdParameters, denoptim.programs.graphlisthandler.GraphListsHandlerParameters, denoptim.programs.isomorphism.IsomorphismParameters, denoptim.programs.mol2graph.Mol2GraphParameters, denoptim.programs.moldecularmodelbuilder.MMBuilderParameters, denoptim.programs.RunTimeParameters
- CheckPoint() : denoptim.combinatorial.CheckPoint
- checkPreFitnessUID : denoptim.fitness.FitnessParameters
- checkPreFitnessUIDFromInput : denoptim.fitness.FitnessParameters
- chemBuilder : denoptim.ga.GraphOperationsTest, denoptim.graph.TemplateTest
- ChemicalObjectModel() : denoptim.molecularmodeling.ChemicalObjectModel
- chkpt : denoptim.programs.combinatorial.CEBLParameters
- chkptFile : denoptim.programs.combinatorial.CEBLParameters
- chkptRestart : denoptim.programs.combinatorial.CEBLParameters
- chkptStep : denoptim.programs.combinatorial.CEBLParameters
- chooseGenerationMethod() : denoptim.ga.EAUtils
- chooseNumberOfSitesToMutate() : denoptim.ga.EAUtils
- choseAmongPossiblyOverlapping() : denoptim.gui.GUIInspectFSERun, denoptim.gui.GUIInspectGARun
- chosenAPMap : denoptim.fragspace.APMapFinder, denoptim.fragspace.GraphLinkFinder
- chosenNewLink : denoptim.fragspace.GraphLinkFinder
- chosenOnes : denoptim.gui.CuttingRulesSelectionDialog
- chosenSDFTags : denoptim.gui.GUIPreferences
- choseOrCreateNewAPClass() : denoptim.gui.GUIVertexInspector
- classifyFragment() : denoptim.fragspace.FragmentSpace
- className : denoptim.fitness.DescriptorForFitness
- cleanup() : denoptim.combinatorial.CombinatorialExplorerByLayer, denoptim.graph.Candidate, denoptim.graph.DGraph, denoptim.graph.EmptyVertex, denoptim.graph.Vertex, denoptim.gui.GraphViewerPanel, denoptim.programs.fitnessevaluator.FPRunner, denoptim.task.ParallelAsynchronousTaskExecutor
- cleanupAsync() : denoptim.ga.EvolutionaryAlgorithm
- cleanupCompleted() : denoptim.ga.EvolutionaryAlgorithm, denoptim.programs.fitnessevaluator.FPRunner, denoptim.task.ParallelAsynchronousTaskExecutor
- clear() : denoptim.ga.Population
- clearAll() : denoptim.fragspace.FragmentSpace, denoptim.gui.FragmentViewPanel, denoptim.gui.MoleculeViewPanel, denoptim.gui.VertexAsGraphViewPanel, denoptim.gui.VertexAsTwoDimStructureViewPanel
- clearAPTable() : denoptim.gui.FragmentViewPanel, denoptim.gui.VertexAsGraphViewPanel, denoptim.gui.VertexAsTwoDimStructureViewPanel
- clearCurrentSystem() : denoptim.gui.GraphVertexMolViewerPanel, denoptim.gui.GUIGraphHandler, denoptim.gui.GUIVertexInspector, denoptim.gui.GUIVertexSelector, denoptim.gui.VertexViewPanel
- cleardataTable() : denoptim.gui.MoleculeViewPanel
- clearIAtomContainer() : denoptim.graph.Template
- clearMatches() : denoptim.gui.CompatibilityMatrixForm.CompatibilityRuleLine
- clearMolecularViewer() : denoptim.gui.FragmentViewPanel, denoptim.gui.GraphVertexMolViewerPanel, denoptim.gui.MoleculeViewPanel, denoptim.gui.VertexViewPanel
- clearPanel() : denoptim.gui.VertexAsTwoDimStructureViewPanel
- clearSearchMatches() : denoptim.gui.CompatibilityMatrixForm
- clearUnformattedTxtArea() : denoptim.gui.ParametersForm
- clearVertexViewer() : denoptim.gui.GraphVertexMolViewerPanel
- CLG : denoptim.main.Main.RunType
- CLG_PARAM : denoptim.files.FileFormat, denoptim.files.FileFormat.DataKind
- CLIOptions() : denoptim.main.CLIOptions
- clone() : denoptim.fragmenter.ClusterableFragment, denoptim.ga.Population, denoptim.ga.Population.XoverSitesAmongCandidates, denoptim.ga.XoverSite, denoptim.graph.APClass, denoptim.graph.APMapping, denoptim.graph.AttachmentPoint, denoptim.graph.Candidate, denoptim.graph.DGraph, denoptim.graph.EmptyVertex, denoptim.graph.Fragment, denoptim.graph.rings.ChainLink, denoptim.graph.rings.ClosableChain, denoptim.graph.Template, denoptim.graph.Vertex, denoptim.integration.tinker.TinkerMolecule, denoptim.logging.StaticLogger
- cloneAllButImpl() : denoptim.fitness.DescriptorForFitness
- ClosableChain() : denoptim.graph.rings.ClosableChain
- closableChains : denoptim.graph.DGraph
- ClosableConf() : denoptim.graph.rings.CyclicGraphHandler.ClosableConf
- close() : denoptim.gui.GUIModalDialog, denoptim.io.IteratingAtomContainerReader
- closeEnough() : denoptim.fitness.descriptors.SocketProvidedDescriptorTest, denoptim.fitness.descriptors.TanimotoMolSimilarityTest, denoptim.fitness.FitnessProviderTest
- closeIfAllSaved() : denoptim.gui.GUI
- closeRings : denoptim.graph.rings.RingClosureParameters, denoptim.molecularmodeling.RingClosureTool
- closeServer() : denoptim.fitness.descriptors.SocketProvidedDescriptorTest
- closeWatcher() : denoptim.ga.ExternalCmdsListener
- cluster() : denoptim.fragmenter.FragmentClusterer
- ClusterableFragment() : denoptim.fragmenter.ClusterableFragment
- clusters : denoptim.fragmenter.FragmentClusterer
- cmbAPC2BO : denoptim.gui.GUIAPClassDefinitionDialog
- cmbBBType : denoptim.gui.GUIEmptyVertexMaker
- cmbFieldChange : denoptim.gui.ParametersForm
- cmbPar11 : denoptim.gui.GAParametersForm
- cmbPar15 : denoptim.gui.GAParametersForm
- cmbPar19 : denoptim.gui.FSParametersForm, denoptim.gui.GAParametersForm
- cmbPar2 : denoptim.gui.GAParametersForm
- cmbPar25 : denoptim.gui.GAParametersForm
- cmbParCrowd1 : denoptim.gui.GAParametersForm
- cmbParMolSz1 : denoptim.gui.GAParametersForm
- cmbPlotType : denoptim.gui.GUIInspectFSERun
- cmbScaffoldingPolicy : denoptim.gui.MolToGraphParametersDialog
- cmbSMILESTo3D : denoptim.gui.GUIPreferencesDialog
- cmbTemplateContract : denoptim.gui.MolToGraphParametersDialog
- cmd : denoptim.gui.GUI, denoptim.main.Behavior
- cmdGridConstraints : denoptim.gui.ButtonsBar
- cmdListener : denoptim.ga.EvolutionaryAlgorithm
- cmdStr : denoptim.task.ProcessHandler
- collectClusterableFragmentsFromFile() : denoptim.fragmenter.ConformerExtractorTask
- collectFragAndAPsCompatibleWithSelectedAPs() : denoptim.gui.GUIGraphHandler
- colors : denoptim.gui.GUIInspectGARun
- combinatorialAlgorithm : denoptim.programs.combinatorial.FragSpaceExplorer
- CombinatorialExplorerByLayer() : denoptim.combinatorial.CombinatorialExplorerByLayer
- combineCompatPathSubGraphs() : denoptim.graph.rings.CyclicGraphHandler
- combineRelatedAPPair() : denoptim.ga.EAUtils
- combineRelatedAPPairUtil() : denoptim.ga.EAUtils
- comment : denoptim.graph.Candidate
- COMP_MAP : denoptim.files.FileFormat, denoptim.files.FileFormat.DataKind
- compare() : denoptim.graph.AttachmentPointComparator, denoptim.graph.simplified.Node, denoptim.graph.simplified.NodeConnection, denoptim.graph.simplified.UndirectedEdge, denoptim.gui.GUIInspectGARun.PlottedCandidatesComparator, denoptim.molecularmodeling.RingClosureTool.RingClosedMolComparator, denoptim.utils.ConnectedLigandComparator
- compareAsUndirected() : denoptim.graph.Edge
- compareFormulaAndElementalAnalysis() : denoptim.utils.FormulaUtils
- compareGraphNodes() : denoptim.graph.DGraph
- comparePropertiesTo() : denoptim.graph.AttachmentPoint
- compareSitesLists() : denoptim.ga.PopulationTest
- compareSizeOfSites() : denoptim.ga.PopulationTest
- compareTo() : denoptim.graph.APClass, denoptim.graph.AttachmentPoint, denoptim.graph.Candidate
- compatChains : denoptim.ga.GraphOperations.FragForClosabChains
- CompatibilityMatrixForm() : denoptim.gui.CompatibilityMatrixForm
- compatibilityOfPairs : denoptim.graph.rings.RingSizeManager
- CompatibilityRuleLine() : denoptim.gui.CompatibilityMatrixForm.CompatibilityRuleLine
- compatMap : denoptim.gui.CompatibilityMatrixForm
- CompatRulesHeader() : denoptim.gui.CompatibilityMatrixForm.CompatRulesHeader
- compatVrtxs : denoptim.gui.GUIGraphHandler
- completed : denoptim.task.Task
- compMatrixFile : denoptim.fragspace.FragmentSpaceParameters
- componerCounter : denoptim.gui.ButtonsBar
- compute() : denoptim.fragmenter.FragmentClusterer.DistanceAsRMSD
- computeCrossProduct() : denoptim.utils.MathUtils
- computeDihedralAngle() : denoptim.utils.MathUtils
- computeDotProduct() : denoptim.utils.MathUtils
- configFilePathName : denoptim.task.ProgramTask
- ConfigTemplateDialog() : denoptim.gui.GUIGraphHandler.ConfigTemplateDialog
- ConformerExtractorTask() : denoptim.fragmenter.ConformerExtractorTask
- ConnectedLigand() : denoptim.utils.ConnectedLigand
- connectedTo() : denoptim.graph.Vertex
- connections : denoptim.utils.ConnectedLigand
- CONSTRUCTION : denoptim.ga.EAUtils.CandidateSource
- CONTACT : denoptim.logging.Version
- contains() : denoptim.ga.Population.XoverSitesAmongCandidates, denoptim.graph.Ring, denoptim.utils.SizeControlledSet
- containsAllKeys() : denoptim.graph.APMapping
- containsAllValues() : denoptim.graph.APMapping
- containsAtoms() : denoptim.graph.DGraph, denoptim.graph.EmptyVertex, denoptim.graph.Fragment, denoptim.graph.Template, denoptim.graph.Vertex
- containsChain() : denoptim.graph.rings.RingClosuresArchive
- containsID() : denoptim.graph.Ring
- containsMolecule() : denoptim.ga.EAUtils
- containsOrEmbedsVertex() : denoptim.graph.DGraph
- containsParameters() : denoptim.programs.RunTimeParameters
- containsVertex() : denoptim.graph.DGraph
- containsVertexID() : denoptim.graph.DGraph
- contractCmb : denoptim.gui.GUIGraphHandler.ConfigTemplateDialog.TemplateConfiguration
- CONTRACTKEY : denoptim.gui.GUIGraphHandler
- contractLevel : denoptim.graph.Template
- contractTolTip : denoptim.gui.GUIGraphHandler.ConfigTemplateDialog.TemplateConfiguration
- CONTRIBUTORS : denoptim.logging.Version
- convertAtomToAP() : denoptim.gui.GUIVertexInspector
- CONVERTBYFRAGATTEMPTS : denoptim.logging.CounterID
- convertDnGraphToGSGraph() : denoptim.gui.GraphViewerPanel
- convertGraphTo3DAtomContainer() : denoptim.molecularmodeling.ThreeDimTreeBuilder
- convertIACToVertex() : denoptim.graph.Vertex
- convertProbabilityScheme() : denoptim.programs.denovo.GAParameters
- convertRingsToRCACombinations() : denoptim.molecularmodeling.ChemicalObjectModel
- convertSimpleToString() : denoptim.utils.FormulaUtilsTest
- convertSymmetricLabelsToSymmetricSets() : denoptim.graph.DGraph
- convertToCoordsVector() : denoptim.fragmenter.ClusterableFragment
- convertToPointArray() : denoptim.fragmenter.ClusterableFragment
- convertToString() : denoptim.utils.FormulaUtilsTest
- copyStringBasedProperties() : denoptim.graph.Vertex
- countAtomsOfElement() : denoptim.utils.MoleculeUtils
- countLinesInFile() : denoptim.files.FileUtils
- countLinesWKeywordInFile() : denoptim.molecularmodeling.MMBuilderUtils
- countPredefinedNeighbours() : denoptim.integration.tinker.TinkerUtils
- countSubTasks() : denoptim.combinatorial.CombinatorialExplorerByLayer
- coupleMutationAndCrossover : denoptim.programs.denovo.GAParameters
- cpMapHandler : denoptim.gui.GUICompatibilityMatrixTab
- CPMapTabUID : denoptim.gui.GUICompatibilityMatrixTab
- createAndSubmitTasks() : denoptim.fragmenter.ParallelConformerExtractionAlgorithm, denoptim.fragmenter.ParallelFragmentationAlgorithm, denoptim.task.ParallelAsynchronousTaskExecutor
- createCrowdProbChart() : denoptim.gui.GAParametersForm
- createCrowdProbDataset() : denoptim.gui.GAParametersForm
- createCrowdProbGraph() : denoptim.gui.GAParametersForm
- createDirectory() : denoptim.files.FileUtils
- createEmptyVertexAndPlaceItInGraph() : denoptim.gui.GUIGraphHandler
- createFolderForGeneration() : denoptim.ga.EAUtils
- createLvlProbChart() : denoptim.gui.GAParametersForm
- createLvlProbDataset() : denoptim.gui.GAParametersForm
- createLvlProbGraph() : denoptim.gui.GAParametersForm
- createMap() : denoptim.constants.DENOPTIMConstants
- createMirror() : denoptim.ga.XoverSite
- createMolSizeProbDataset() : denoptim.gui.GAParametersForm
- createMolSzProbChart() : denoptim.gui.GAParametersForm
- createMolSzProbGraph() : denoptim.gui.GAParametersForm
- createWorkingDirectory() : denoptim.programs.combinatorial.CEBLParameters, denoptim.programs.denovo.GAParameters, denoptim.programs.fragmenter.FragmenterParameters
- createZipFile() : denoptim.files.FileUtils
- CROSSOVER : denoptim.ga.EAUtils.CandidateSource, denoptim.programs.genetweeker.GeneOpsRunnerParameters.Operator
- crossoverWeight : denoptim.programs.denovo.GAParameters
- crowdingMultiplier : denoptim.programs.denovo.GAParameters
- crowdingProbabilityScheme : denoptim.programs.denovo.GAParameters
- crowdingSigmaMiddle : denoptim.programs.denovo.GAParameters
- crowdingSigmaSteepness : denoptim.programs.denovo.GAParameters
- crowdProbData : denoptim.gui.GAParametersForm
- ctrlPane : denoptim.gui.GUIVertexInspector, denoptim.gui.GUIVertexSelector
- ctrlPanel : denoptim.gui.GUIInspectFSERun, denoptim.gui.GUIInspectGARun
- ctrlPanelLeft : denoptim.gui.GUIInspectFSERun
- ctrlPanelRight : denoptim.gui.GUIInspectFSERun
- ctrlPanelRow1 : denoptim.gui.GUIInspectGARun
- ctrlPanelRow1Left : denoptim.gui.GUIInspectGARun
- ctrlPanelRow1Right : denoptim.gui.GUIInspectGARun
- ctrlPanelRow2Left : denoptim.gui.GUIInspectGARun
- currApIdx : denoptim.gui.GUIVertexSelector
- currGrphIdx : denoptim.gui.GUIGraphHandler
- currVrtxIdx : denoptim.gui.GUIVertexInspector, denoptim.gui.GUIVertexSelector
- customRulesTabModel : denoptim.gui.CuttingRulesSelectionDialog
- customVarDescExpressions : denoptim.fitness.FitnessParameters
- cutId : denoptim.graph.AttachmentPoint
- CUTRULE : denoptim.files.FileFormat
- cutRulesFile : denoptim.programs.fragmenter.FragmenterParameters
- CUTRULKEYWORD : denoptim.constants.DENOPTIMConstants
- CuttingRule() : denoptim.programs.fragmenter.CuttingRule
- cuttingRules : denoptim.programs.fragmenter.FragmenterParameters
- CuttingRulesSelectionDialog() : denoptim.gui.CuttingRulesSelectionDialog
- CyclicGraphHandler() : denoptim.graph.rings.CyclicGraphHandler