Class MolDistHistVizFrag
- java.lang.Object
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- com.actelion.research.chem.descriptor.flexophore.DistHist
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- com.actelion.research.chem.descriptor.flexophore.MolDistHistViz
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- com.actelion.research.chem.descriptor.flexophore.MolDistHistVizFrag
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- All Implemented Interfaces:
IMolDistHist
,ICompleteGraph
,java.io.Serializable
public class MolDistHistVizFrag extends MolDistHistViz
- See Also:
- Serialized Form
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Field Summary
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Fields inherited from class com.actelion.research.chem.descriptor.flexophore.MolDistHistViz
CAPACITY_INEVITABLE_PPPOINTS, COLORS, DESCRIBE_ALL, DESCRIBE_MAPPED, molecule3D, TAG_VIZ_INFO_ENCODED
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Fields inherited from class com.actelion.research.chem.descriptor.flexophore.DistHist
arrDistHists
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Constructor Summary
Constructors Constructor Description MolDistHistVizFrag()
MolDistHistVizFrag(int length)
MolDistHistVizFrag(int length, Molecule3D ff)
MolDistHistVizFrag(MolDistHist mdh)
MolDistHistVizFrag(MolDistHistVizFrag mdhvf)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description MolDistHistVizFrag
copy()
int[]
getArrIndexParentNodes()
void
setArrIndexParentNodes(int[] arrIndexParentNodes)
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Methods inherited from class com.actelion.research.chem.descriptor.flexophore.MolDistHistViz
addInevitablePharmacophorePoint, addNode, blurrSingleBinHistograms, calculate, canonize, check, copy, createIndexTables, createNodeIndex, equals, finalizeMolecule, formatDescription, getBondAtom, getConnAtom, getConnBond, getDistanceTables, getHashSetIndexInevitablePPPoints, getIndexFromCoord, getInevitablePharmacophorePoints, getInfo, getMaximumDistanceInPPPoint, getMolDistHist, getMolecule, getMoleculeRemovedUnrelatedAtoms, getName, getNode, getNodes, getNumCExclusiveNodes, getNumHeteroNodes, getNumInevitablePharmacophorePoints, hashCode, initHistogramArray, isAcceptor, isAliphatic, isAromatic, isChargeNeg, isChargePos, isDonor, isInevitablePharmacophorePoint, isMarked, isOnlyCarbon, merge, realize, recalculateCoordPPPoints, removeInevitablePharmacophorePoint, resetInevitablePharmacophorePoints, resetInfoColor, set, set, setDistanceTables, setMappingIndex, setMark, setMarkAll, setModeFlexophore, setName, setSimilarityMappingNodes, summarizeAlkaneCluster, swapNodes, toString, toStringInevitable, toStringPPNodes, toStringShort
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Methods inherited from class com.actelion.research.chem.descriptor.flexophore.DistHist
copy, getBonds, getClusterCenter, getDistHist, getDistHist, getDistHists, getIdentifier, getIndex, getIndexPosStartForDistHist, getMaxDistInHist, getMinDist, getNumPPNodes, getRelMaxDistInHist, getRelMaxDistInHist, getSizeBytes, getValueAtAbsolutePosition, setDistHist, setDistHists, setIdentifier, toStringHistsIndexed
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Methods inherited from class java.lang.Object
clone, finalize, getClass, notify, notifyAll, wait, wait, wait
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Methods inherited from interface com.actelion.research.util.graph.complete.ICompleteGraph
getNumPPNodes
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Methods inherited from interface com.actelion.research.chem.descriptor.flexophore.IMolDistHist
getDistHist, getRelMaxDistInHist
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Constructor Detail
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MolDistHistVizFrag
public MolDistHistVizFrag()
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MolDistHistVizFrag
public MolDistHistVizFrag(int length)
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MolDistHistVizFrag
public MolDistHistVizFrag(int length, Molecule3D ff)
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MolDistHistVizFrag
public MolDistHistVizFrag(MolDistHistVizFrag mdhvf)
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MolDistHistVizFrag
public MolDistHistVizFrag(MolDistHist mdh)
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Method Detail
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getArrIndexParentNodes
public int[] getArrIndexParentNodes()
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copy
public MolDistHistVizFrag copy()
- Overrides:
copy
in classMolDistHistViz
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setArrIndexParentNodes
public void setArrIndexParentNodes(int[] arrIndexParentNodes)
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