Class MolDistHistVizHiddenPPPoints
- 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.MolDistHistVizHiddenPPPoints
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- All Implemented Interfaces:
IMolDistHist
,ICompleteGraph
,java.io.Serializable
public class MolDistHistVizHiddenPPPoints extends MolDistHistViz implements java.io.Serializable
- See Also:
- Serialized Form
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Field Summary
Fields Modifier and Type Field Description static java.lang.String
TAG_FLEXOPHORE_ALL
static java.lang.String
TAG_FLEXOPHORE_OBJECT
The native object MolDistHistVizHiddenPPPoints.static java.lang.String
TAG_FLEXOPHORE_OBJECTLIST
static java.lang.String
TAG_MOLDISTHISTVIZ_HIDDENPPPOINTS
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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 MolDistHistVizHiddenPPPoints(MolDistHist mdh)
MolDistHistVizHiddenPPPoints(MolDistHistViz mdhv)
MolDistHistVizHiddenPPPoints(MolDistHistVizHiddenPPPoints mdhvhpp)
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Method Summary
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Methods inherited from class com.actelion.research.chem.descriptor.flexophore.MolDistHistViz
addNode, blurrSingleBinHistograms, calculate, canonize, check, copy, 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, 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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Field Detail
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TAG_FLEXOPHORE_ALL
public static final java.lang.String TAG_FLEXOPHORE_ALL
- See Also:
- Constant Field Values
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TAG_MOLDISTHISTVIZ_HIDDENPPPOINTS
public static final java.lang.String TAG_MOLDISTHISTVIZ_HIDDENPPPOINTS
- See Also:
- Constant Field Values
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TAG_FLEXOPHORE_OBJECT
public static final java.lang.String TAG_FLEXOPHORE_OBJECT
The native object MolDistHistVizHiddenPPPoints. For the map in FFMolecule etc.- See Also:
- Constant Field Values
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TAG_FLEXOPHORE_OBJECTLIST
public static final java.lang.String TAG_FLEXOPHORE_OBJECTLIST
- See Also:
- Constant Field Values
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Constructor Detail
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MolDistHistVizHiddenPPPoints
public MolDistHistVizHiddenPPPoints(MolDistHistVizHiddenPPPoints mdhvhpp)
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MolDistHistVizHiddenPPPoints
public MolDistHistVizHiddenPPPoints(MolDistHistViz mdhv)
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MolDistHistVizHiddenPPPoints
public MolDistHistVizHiddenPPPoints(MolDistHist mdh)
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Method Detail
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addInevitablePharmacophorePoint
public void addInevitablePharmacophorePoint(int indexNodeAbsolute)
- Overrides:
addInevitablePharmacophorePoint
in classMolDistHistViz
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removeInevitablePharmacophorePoint
public void removeInevitablePharmacophorePoint(int indexNodeAbsolute)
- Overrides:
removeInevitablePharmacophorePoint
in classMolDistHistViz
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addHiddenPharmacophorePoint
public void addHiddenPharmacophorePoint(byte indexPPNodeAbsolute)
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removeHiddenPharmacophorePoint
public void removeHiddenPharmacophorePoint(byte indexPPNodeAbsolute)
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resetHiddenPharmacophorePoints
public void resetHiddenPharmacophorePoints()
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getRelMaxDistInHistSkipHidden
public double getRelMaxDistInHistSkipHidden(int indexAt1, int indexAt2)
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getNodeSkipHidden
public PPNodeViz getNodeSkipHidden(int indexNode)
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getDistHistSkipHidden
public byte[] getDistHistSkipHidden(int indexAt1, int indexAt2, byte[] arr)
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getDistHistSkipHidden
public byte[] getDistHistSkipHidden(int indexAt1, int indexAt2)
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isInevitablePharmacophorePointSkipHidden
public boolean isInevitablePharmacophorePointSkipHidden(int indexNode)
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getNumInevitablePharmacophorePointsSkipHidden
public int getNumInevitablePharmacophorePointsSkipHidden()
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getSizeSkipHidden
public int getSizeSkipHidden()
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getHashSetHiddenIndex
protected java.util.HashSet<java.lang.Byte> getHashSetHiddenIndex()
- Returns:
- the hsHiddenIndex
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isHiddenPharmacophorePointAbsolute
public boolean isHiddenPharmacophorePointAbsolute(byte indexNodeAbsolute)
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isInevitablePharmacophorePointAbsolute
public boolean isInevitablePharmacophorePointAbsolute(int indexNodeAbsolute)
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getMolDistHistVizSkipHidden
public MolDistHistViz getMolDistHistVizSkipHidden()
- Returns:
- deep copy.
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toStringHiddenAndInevitable
public java.lang.String toStringHiddenAndInevitable()
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