addCappingGroups(FragmentSpace fragSpace) | denoptim.graph.DGraph | |
addCappingGroups(List< Vertex > vertexAddedToThis, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
addEdge(Edge edge) | denoptim.graph.DGraph | |
addRing(Ring ring) | denoptim.graph.DGraph | |
addRing(Vertex vI, Vertex vJ) | denoptim.graph.DGraph | |
addRing(Vertex vI, Vertex vJ, BondType bndTyp) | denoptim.graph.DGraph | |
addSymmetricSetOfVertices(SymmetricVertexes symSet) | denoptim.graph.DGraph | |
addVertex(Vertex vertex) | denoptim.graph.DGraph | |
apCounter | denoptim.graph.DGraph | private |
appendGraphOnAP(AttachmentPoint apOnThisGraph, AttachmentPoint apOnIncomingGraph, BondType bndType) | denoptim.graph.DGraph | |
appendGraphOnAP(Vertex parentVertex, int parentAPIdx, DGraph subGraph, Vertex childVertex, int childAPIdx, BondType bndType, Map< Vertex, SymmetricVertexes > newSymSets) | denoptim.graph.DGraph | |
appendGraphOnGraph(List< Vertex > parentVertices, List< Integer > parentAPIdx, DGraph subGraph, Vertex childVertex, int childAPIdx, BondType bndType, boolean onAllSymmAPs) | denoptim.graph.DGraph | |
appendGraphOnGraph(Vertex parentVertex, int parentAPIdx, DGraph subGraph, Vertex childVertex, int childAPIdx, BondType bndType, Map< Vertex, SymmetricVertexes > newSymSets, boolean onAllSymmAPs) | denoptim.graph.DGraph | |
appendVertexOnAP(AttachmentPoint srcAP, AttachmentPoint trgAP) | denoptim.graph.DGraph | |
areApsUsedBySymmetricUsers(AttachmentPoint apA, AttachmentPoint apB, Set< Vertex > alreadyAssignedVrtxs) | denoptim.graph.DGraph | static |
candidate | denoptim.graph.DGraph | package |
changeSignOfVertexID() | denoptim.graph.DGraph | |
checkConsistency(RunTimeParameters settings) | denoptim.graph.DGraph | |
checkConsistency(RunTimeParameters settings, boolean permissive) | denoptim.graph.DGraph | |
cleanup() | denoptim.graph.DGraph | |
clone() | denoptim.graph.DGraph | |
closableChains | denoptim.graph.DGraph | package |
compareGraphNodes(Vertex thisV, DGraph thisG, Vertex otherV, DGraph otherG) | denoptim.graph.DGraph | static |
compareGraphNodes(Vertex seedOnA, DGraph gA, Vertex seedOnB, DGraph gB, Map< Vertex, Vertex > vertexMap, StringBuilder reason) | denoptim.graph.DGraph | privatestatic |
containsAtoms() | denoptim.graph.DGraph | |
containsOrEmbedsVertex(Vertex v) | denoptim.graph.DGraph | |
containsVertex(Vertex v) | denoptim.graph.DGraph | |
containsVertexID(long l) | denoptim.graph.DGraph | |
convertSymmetricLabelsToSymmetricSets() | denoptim.graph.DGraph | protected |
detectSymVertexSets() | denoptim.graph.DGraph | |
DGraph(List< Vertex > gVertices, List< Edge > gEdges) | denoptim.graph.DGraph | |
DGraph(List< Vertex > gVertices, List< Edge > gEdges, List< Ring > gRings) | denoptim.graph.DGraph | |
DGraph(List< Vertex > gVertices, List< Edge > gEdges, List< Ring > gRings, List< SymmetricVertexes > symSets) | denoptim.graph.DGraph | |
DGraph(List< Vertex > gVertices, List< Edge > gEdges, List< Ring > gRings, List< ClosableChain > closableChains, List< SymmetricVertexes > symVertices) | denoptim.graph.DGraph | |
DGraph() | denoptim.graph.DGraph | |
directedPathExists(Vertex src, Vertex trg) | denoptim.graph.DGraph | |
editGraph(ArrayList< GraphEdit > edits, boolean symmetry, FragmentSpace fragSpace, Logger logger) | denoptim.graph.DGraph | |
embedPatternsInTemplates(GraphPattern pattern, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
embedPatternsInTemplates(GraphPattern pattern, FragmentSpace fragSpace, ContractLevel contract) | denoptim.graph.DGraph | |
ensureUniqueApIDs() | denoptim.graph.DGraph | protected |
extractPattern(GraphPattern pattern) | denoptim.graph.DGraph | |
extractPattern(GraphPattern pattern, boolean recordConnectivity) | denoptim.graph.DGraph | |
extractSubgraph(int index) | denoptim.graph.DGraph | |
extractSubgraph(Vertex seed) | denoptim.graph.DGraph | |
extractSubgraph(Vertex seed, int numLayers, boolean stopBeforeRCVs) | denoptim.graph.DGraph | |
extractSubgraph(Vertex seed, List< Vertex > limits, boolean stopBeforeRCVs) | denoptim.graph.DGraph | |
extractSubgraph(Vertex seed, boolean stopBeforeRCVs) | denoptim.graph.DGraph | |
extractSubgraph(Collection< Vertex > definedOn) | denoptim.graph.DGraph | |
extractSubgraph(Collection< Vertex > definedOn, Set< Edge > connectionToSubgraph, Set< Edge > connectionFromSubgraph) | denoptim.graph.DGraph | |
findSymmetrySetsOfChildVertexes(Vertex vrtx, Set< Vertex > alreadyAssignedVrtxs) | denoptim.graph.DGraph | package |
findVertices(VertexQuery vrtxQuery, Logger logger) | denoptim.graph.DGraph | |
findVertices(VertexQuery vrtxQuery, boolean purgeSym, Logger logger) | denoptim.graph.DGraph | |
findVerticesIds(VertexQuery query, Logger logger) | denoptim.graph.DGraph | |
fixEdgeDirections(DGraph graph) | denoptim.graph.DGraph | privatestatic |
fixEdgeDirections(Vertex v, Set< Long > visited) | denoptim.graph.DGraph | privatestatic |
fromJson(String json) | denoptim.graph.DGraph | static |
fromJson(Reader reader) | denoptim.graph.DGraph | static |
gEdges | denoptim.graph.DGraph | package |
getAPOnLeftVertexID(long nbrVid, long vid) | denoptim.graph.DGraph | |
getAPWithId(int id) | denoptim.graph.DGraph | |
getAttachmentPoints() | denoptim.graph.DGraph | |
getAvailableAPs() | denoptim.graph.DGraph | |
getAvailableAPsThroughout() | denoptim.graph.DGraph | |
getBondingAPIndex(Vertex srcVert, int dapidx, Vertex dstVert) | denoptim.graph.DGraph | |
getBranchIdOfVertex(Vertex v) | denoptim.graph.DGraph | |
getBranchIdOfVertexAsStr(Vertex v) | denoptim.graph.DGraph | |
getBranchIdOfVertexAtPosition(int i) | denoptim.graph.DGraph | |
getCandidateOwner() | denoptim.graph.DGraph | |
getChildrenTree(Vertex vertex, List< Vertex > children) | denoptim.graph.DGraph | |
getChildrenTree(Vertex vertex, List< Vertex > children, boolean markBranches) | denoptim.graph.DGraph | |
getChildrenTree(Vertex vertex, List< Vertex > children, AtomicInteger branchIdGenerator, List< Integer > prevBranchId) | denoptim.graph.DGraph | |
getChildrenTree(Vertex vertex, List< Vertex > children, int numLayers, boolean stopBeforeRCVs) | denoptim.graph.DGraph | |
getChildTreeLimited(Vertex vertex, List< Vertex > children, boolean stopBeforeRCVs) | denoptim.graph.DGraph | |
getChildTreeLimited(Vertex vertex, List< Vertex > children, Set< Vertex > limits) | denoptim.graph.DGraph | |
getChildTreeLimited(Vertex vertex, List< Vertex > children, List< Vertex > limitsInClone, boolean stopBeforeRCVs) | denoptim.graph.DGraph | |
getChildVertices(Vertex vertex) | denoptim.graph.DGraph | |
getClosableChains() | denoptim.graph.DGraph | |
getDeepestAmongThese(List< Vertex > list) | denoptim.graph.DGraph | |
getEdgeAtPosition(int pos) | denoptim.graph.DGraph | |
getEdgeCount() | denoptim.graph.DGraph | |
getEdgeList() | denoptim.graph.DGraph | |
getEdgesWithChild(int vid) | denoptim.graph.DGraph | |
getEdgesWithSrc(Vertex v) | denoptim.graph.DGraph | |
getEdgesWithTrg(Vertex v) | denoptim.graph.DGraph | |
getEdgeWithParent(long l) | denoptim.graph.DGraph | |
getEmbeddedGraphInClone(DGraph graphY, DGraph graphB, List< Template > path) | denoptim.graph.DGraph | static |
getEmbeddingPath() | denoptim.graph.DGraph | |
getFreeRCVertices() | denoptim.graph.DGraph | |
getGraphId() | denoptim.graph.DGraph | |
getHeavyAtomsCount() | denoptim.graph.DGraph | |
getIndexOfEdgesWithChild(int vid) | denoptim.graph.DGraph | |
getInterfaceAPs(List< Vertex > subGraphB) | denoptim.graph.DGraph | |
getLevel(Vertex v) | denoptim.graph.DGraph | |
getLocalMsg() | denoptim.graph.DGraph | |
getMaxVertexId() | denoptim.graph.DGraph | |
getMutableSites() | denoptim.graph.DGraph | |
getMutableSites(List< MutationType > ignoredTypes) | denoptim.graph.DGraph | |
getOutermostGraphOwner() | denoptim.graph.DGraph | |
getParent(Vertex v) | denoptim.graph.DGraph | |
getParentTree(Vertex vertex, List< Vertex > parentTree) | denoptim.graph.DGraph | |
getRCVertices() | denoptim.graph.DGraph | |
getRingCount() | denoptim.graph.DGraph | |
getRings() | denoptim.graph.DGraph | |
getRingsInvolvingVertex(Vertex v) | denoptim.graph.DGraph | |
getRingsInvolvingVertex(Vertex[] vs) | denoptim.graph.DGraph | |
getRingsInvolvingVertexID(int vid) | denoptim.graph.DGraph | |
getSourceVertex() | denoptim.graph.DGraph | |
getSubgraphAPs(List< Vertex > subGraphB) | denoptim.graph.DGraph | |
getSymmetricSetCount() | denoptim.graph.DGraph | |
getSymmetricSubGraphs(List< Vertex > subGrpVrtxs) | denoptim.graph.DGraph | |
getSymSetForVertex(Vertex v) | denoptim.graph.DGraph | |
getSymSetsIterator() | denoptim.graph.DGraph | |
getSymVerticesForVertex(Vertex v) | denoptim.graph.DGraph | |
getTemplateJacket() | denoptim.graph.DGraph | |
getUniqueAPIndex() | denoptim.graph.DGraph | protected |
getUsedRCVertices() | denoptim.graph.DGraph | |
getVertexAtPosition(int pos) | denoptim.graph.DGraph | |
getVertexCount() | denoptim.graph.DGraph | |
getVertexList() | denoptim.graph.DGraph | |
getVertexWithId(long vid) | denoptim.graph.DGraph | |
graphId | denoptim.graph.DGraph | package |
graphNeedsCappingGroups(FragmentSpace fragSpace) | denoptim.graph.DGraph | |
gRings | denoptim.graph.DGraph | package |
gVertices | denoptim.graph.DGraph | package |
hasForbiddenEnd(FragmentSpaceParameters fsSettings) | denoptim.graph.DGraph | |
hasOrEmbedsRings() | denoptim.graph.DGraph | |
hasRings() | denoptim.graph.DGraph | |
hasScaffoldTypeVertex() | denoptim.graph.DGraph | |
hasSymmetricAP() | denoptim.graph.DGraph | |
hasSymmetryInvolvingVertex(Vertex v) | denoptim.graph.DGraph | |
indexOf(Vertex v) | denoptim.graph.DGraph | |
indexOfVertexWithID(long vid) | denoptim.graph.DGraph | |
insertSingleVertex(Edge edge, Vertex newLink, LinkedHashMap< AttachmentPoint, AttachmentPoint > apMap) | denoptim.graph.DGraph | |
insertVertex(Edge edge, int bbId, BBType bbt, LinkedHashMap< AttachmentPoint, Integer > apMap, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
isIsomorphicTo(DGraph other) | denoptim.graph.DGraph | |
isIsostructuralTo(DGraph other) | denoptim.graph.DGraph | |
isReversible(FragmentSpace fragSpace) | denoptim.graph.DGraph | |
isVertexIDInRing(int vid) | denoptim.graph.DGraph | |
isVertexInRing(Vertex v) | denoptim.graph.DGraph | |
jGraph | denoptim.graph.DGraph | private |
jGraphKernel | denoptim.graph.DGraph | private |
localMsg | denoptim.graph.DGraph | package |
makeAllGraphsWithDifferentRingSets(RunTimeParameters settings) | denoptim.graph.DGraph | |
reassignSymmetricLabels() | denoptim.graph.DGraph | protected |
removeBranchStartingAt(Vertex v, boolean symmetry) | denoptim.graph.DGraph | |
removeBranchStartingAt(Vertex v) | denoptim.graph.DGraph | |
removeCappingGroups(List< Vertex > lstVerts) | denoptim.graph.DGraph | |
removeCappingGroups() | denoptim.graph.DGraph | |
removeCappingGroupsFromChilds(List< Vertex > lstVerts) | denoptim.graph.DGraph | |
removeCappingGroupsOn(Vertex vertex) | denoptim.graph.DGraph | |
removeChainUpToBranching(Vertex v, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
removeEdge(Edge edge) | denoptim.graph.DGraph | |
removeOrphanBranchStartingAt(Vertex v) | denoptim.graph.DGraph | |
removeRing(Ring ring) | denoptim.graph.DGraph | |
removeSingleVertexAndWeld(Vertex vertex, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
removeSymmetryRedundance(List< Vertex > list) | denoptim.graph.DGraph | |
removeSymmetryRedundantIds(ArrayList< Long > list) | denoptim.graph.DGraph | |
removeSymmetrySet(SymmetricVertexes ss) | denoptim.graph.DGraph | |
removeVertex(Vertex vertex) | denoptim.graph.DGraph | |
removeVertexAndWeld(Vertex vertex, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
renumberGraphVertices() | denoptim.graph.DGraph | |
renumberVerticesGetMap() | denoptim.graph.DGraph | |
reorderVertexList(DGraph g) | denoptim.graph.DGraph | privatestatic |
replaceSingleSubGraph(List< Vertex > subGrpVrtxs, DGraph newSubGraph, LinkedHashMap< AttachmentPoint, AttachmentPoint > apMap) | denoptim.graph.DGraph | |
replaceSubGraph(List< Vertex > subGrpVrtxs, DGraph incomingGraph, LinkedHashMap< AttachmentPoint, AttachmentPoint > apMap, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
replaceUnusedRCVsWithCapps(FragmentSpace fragSpace) | denoptim.graph.DGraph | |
replaceVertex(Vertex vertex, int bbId, BBType bbt, LinkedHashMap< Integer, Integer > apIdMap, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
replaceVertex(Vertex vertex, int bbId, BBType bbt, LinkedHashMap< Integer, Integer > apIdMap, boolean symmetry, FragmentSpace fragSpace) | denoptim.graph.DGraph | |
sameAs(DGraph other, StringBuilder reason) | denoptim.graph.DGraph | |
sameAsRings(StringBuilder reason, Map< Vertex, Vertex > vertexMap, Ring rT, Vertex vhT, Vertex vtT, Ring rO) | denoptim.graph.DGraph | private |
setCandidateClosableChains(ArrayList< ClosableChain > closableChains) | denoptim.graph.DGraph | |
setCandidateOwner(Candidate candidate) | denoptim.graph.DGraph | |
setEdgeList(ArrayList< Edge > edges) | denoptim.graph.DGraph | |
setGraphId(int id) | denoptim.graph.DGraph | |
setLocalMsg(String msg) | denoptim.graph.DGraph | |
setRings(ArrayList< Ring > rings) | denoptim.graph.DGraph | |
setScaffold(Vertex v) | denoptim.graph.DGraph | static |
setSymmetricVertexSets(List< SymmetricVertexes > symVertices) | denoptim.graph.DGraph | |
setTemplateJacket(Template template) | denoptim.graph.DGraph | |
setVertexList(ArrayList< Vertex > vertices) | denoptim.graph.DGraph | |
storeCurrentVertexIDs() | denoptim.graph.DGraph | |
symVertices | denoptim.graph.DGraph | private |
templateJacket | denoptim.graph.DGraph | package |
toJson() | denoptim.graph.DGraph | |
toString() | denoptim.graph.DGraph | |