Class PPNodeViz
- java.lang.Object
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- com.actelion.research.chem.descriptor.flexophore.PPNode
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- com.actelion.research.chem.descriptor.flexophore.PPNodeViz
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public class PPNodeViz extends PPNode implements java.io.Serializable
Pharmacophore node with information about corresponding atoms in the molecule used for construction.- See Also:
- Serialized Form
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Field Summary
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Fields inherited from class com.actelion.research.chem.descriptor.flexophore.PPNode
DUMMY_INTERACT_ID, INFO_DEFAULT, MULT_FREQ, NUM_BYTES_INTERACTION_TYPE, SEPARATOR_ATOMS
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
addAtoms(PPNodeViz node)
Only atoms are added that are not yet in the list, check PPAtom.equals for comparison.void
addIndexOriginalAtom(int index)
void
clearInfo()
void
copy(PPNodeViz node)
Copy of node into thisCoordinates
getCoordinates()
PPNodeViz
getCopy()
node deep copy.int
getIndex()
int
getIndexSphereVisualization()
java.util.List<java.lang.Integer>
getListIndexOriginalAtoms()
int
getMappingIndex()
float
getSimilarityMappingNodes()
double
getX()
double
getY()
double
getZ()
boolean
hasSamePosition(PPNodeViz node)
boolean
isMarked()
void
resetInfoColor()
void
setCoordinates(double x, double y, double z)
void
setCoordinates(Coordinates c)
void
setCoordinatesNull()
void
setIndex(int id)
protected void
setIndexSphereVisualization(int indexSphereViz)
void
setMappingIndex(int info)
void
setMarked(boolean marked)
void
setSimilarityMappingNodes(float similarityMappingNodes)
void
setX(double x)
void
setY(double y)
void
setZ(double z)
java.lang.String
toString()
java.lang.String
toStringLongPPNode()
java.lang.String
toStringShort()
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Methods inherited from class com.actelion.research.chem.descriptor.flexophore.PPNode
add, addAtoms, compareTo, containsInteractionID, copy, equalAtoms, equals, get, getAtomicNo, getAtomicNoFromInteractionType, getDummy, getFractionCarbonInteractions, getHeteroOnlyNode, getInteractionType, getInteractionTypeCount, getInteractionTypeFromByteArray, getModeFlexophore, getNumBytesEntry, hasHeteroAtom, isAromatic, isCarbonExclusiveNode, read, realize, set, setModeFlexophore, sortInteractionTypes, toStringLong, toStringLongHardPPPoint
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Method Detail
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getIndex
public int getIndex()
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setIndex
public void setIndex(int id)
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addAtoms
public void addAtoms(PPNodeViz node)
Only atoms are added that are not yet in the list, check PPAtom.equals for comparison.- Parameters:
node
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addIndexOriginalAtom
public void addIndexOriginalAtom(int index)
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copy
public void copy(PPNodeViz node)
Copy of node into this- Parameters:
node
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isMarked
public boolean isMarked()
- Returns:
- the marked
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setMarked
public void setMarked(boolean marked)
- Parameters:
marked
- the marked to set
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getListIndexOriginalAtoms
public java.util.List<java.lang.Integer> getListIndexOriginalAtoms()
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getMappingIndex
public int getMappingIndex()
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setMappingIndex
public void setMappingIndex(int info)
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clearInfo
public void clearInfo()
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hasSamePosition
public boolean hasSamePosition(PPNodeViz node)
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resetInfoColor
public void resetInfoColor()
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getCoordinates
public Coordinates getCoordinates()
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setCoordinates
public void setCoordinates(double x, double y, double z)
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setCoordinates
public void setCoordinates(Coordinates c)
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setCoordinatesNull
public void setCoordinatesNull()
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getX
public double getX()
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getY
public double getY()
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getZ
public double getZ()
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setX
public void setX(double x)
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setY
public void setY(double y)
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setZ
public void setZ(double z)
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getIndexSphereVisualization
public int getIndexSphereVisualization()
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setIndexSphereVisualization
protected void setIndexSphereVisualization(int indexSphereViz)
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getSimilarityMappingNodes
public float getSimilarityMappingNodes()
- Returns:
- the similarityMappingNodes
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setSimilarityMappingNodes
public void setSimilarityMappingNodes(float similarityMappingNodes)
- Parameters:
similarityMappingNodes
- the similarityMappingNodes to set
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toStringLongPPNode
public java.lang.String toStringLongPPNode()
- Returns:
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toStringShort
public java.lang.String toStringShort()
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