Class MolDistHist
- java.lang.Object
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- com.actelion.research.chem.descriptor.flexophore.DistHist
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- com.actelion.research.chem.descriptor.flexophore.MolDistHist
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- All Implemented Interfaces:
IMolDistHist
,ICompleteGraph
,java.io.Serializable
public class MolDistHist extends DistHist implements java.io.Serializable, IMolDistHist
- See Also:
- Serialized Form
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Field Summary
Fields Modifier and Type Field Description static boolean
VERBOSE
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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 MolDistHist()
MolDistHist(int nNodes)
MolDistHist(MolDistHist mdh)
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description void
addNode(PPNode node)
boolean
check()
MolDistHist
copy()
void
copy(MolDistHist copy)
boolean
equals(java.lang.Object o)
protected byte[]
getArrNode()
int
getConnAtom(int at, int index)
byte
getModeFlexophore()
PPNode
getNode(int index)
!Slow method, it has to iterate through a loop to find the node in the array!static int
getNumBytesEntry()
int
getNumInevitablePharmacophorePoints()
Only for interface compliance needed.int
getPPPoints(int index)
int
getSizeBytes()
int
hashCode()
protected void
initHistogramArray(int nNodes)
protected boolean
isFinalized()
boolean
isInevitablePharmacophorePoint(int indexNode)
static MolDistHist
read(java.lang.String strMolDistHist)
static java.util.List<PPNode>
readNodes(java.lang.String strMolDistHist)
reads a MolDistHist from the toString() method.void
realize()
Resizes the node array to the needed length.protected void
setArrNode(byte[] arrNode)
java.lang.String
toString()
java.lang.String
toStringHists()
java.lang.String
toStringNodes()
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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, 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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VERBOSE
public static final boolean VERBOSE
- See Also:
- Constant Field Values
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Constructor Detail
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MolDistHist
public MolDistHist()
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MolDistHist
public MolDistHist(int nNodes)
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MolDistHist
public MolDistHist(MolDistHist mdh)
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Method Detail
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copy
public MolDistHist copy()
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check
public boolean check()
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copy
public void copy(MolDistHist copy)
- Parameters:
copy
- : This object is written into copy.
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equals
public boolean equals(java.lang.Object o)
- Overrides:
equals
in classjava.lang.Object
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getModeFlexophore
public byte getModeFlexophore()
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initHistogramArray
protected void initHistogramArray(int nNodes)
- Overrides:
initHistogramArray
in classDistHist
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addNode
public void addNode(PPNode node)
- Parameters:
node
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getArrNode
protected byte[] getArrNode()
- Returns:
- the arrNode
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setArrNode
protected void setArrNode(byte[] arrNode)
- Parameters:
arrNode
- the arrNode to set
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realize
public void realize()
Resizes the node array to the needed length.
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getConnAtom
public int getConnAtom(int at, int index)
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hashCode
public int hashCode()
- Overrides:
hashCode
in classjava.lang.Object
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toString
public java.lang.String toString()
- Overrides:
toString
in classjava.lang.Object
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toStringNodes
public java.lang.String toStringNodes()
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toStringHists
public java.lang.String toStringHists()
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isFinalized
protected boolean isFinalized()
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getNode
public PPNode getNode(int index)
!Slow method, it has to iterate through a loop to find the node in the array!- Specified by:
getNode
in interfaceIMolDistHist
- Parameters:
index
-- Returns:
- deep copy of the node.
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getPPPoints
public int getPPPoints(int index)
- Parameters:
index
-- Returns:
- number of pharmacophore points at the specified index slow method because it calls getPositionNode(index).
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getSizeBytes
public int getSizeBytes()
- Overrides:
getSizeBytes
in classDistHist
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getNumInevitablePharmacophorePoints
public int getNumInevitablePharmacophorePoints()
Only for interface compliance needed.- Specified by:
getNumInevitablePharmacophorePoints
in interfaceIMolDistHist
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isInevitablePharmacophorePoint
public boolean isInevitablePharmacophorePoint(int indexNode)
- Specified by:
isInevitablePharmacophorePoint
in interfaceIMolDistHist
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getNumBytesEntry
public static int getNumBytesEntry()
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readNodes
public static java.util.List<PPNode> readNodes(java.lang.String strMolDistHist)
reads a MolDistHist from the toString() method.- Parameters:
strMolDistHist
-- Returns:
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read
public static MolDistHist read(java.lang.String strMolDistHist)
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