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java.lang.Objectfingerprinters.CombinatorialPatternHelper
public class CombinatorialPatternHelper
Constructor Summary | |
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CombinatorialPatternHelper()
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Method Summary | |
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java.util.List<IFeature> |
getFingerprint2Point(org.openscience.cdk.interfaces.IAtomContainer ac,
int[][] matrix,
int distanceCutoff,
ExtendedAtomAndBondTyper typer)
generates all possible patters between two atoms |
java.util.List<IFeature> |
getFingerprint2PointPPP(org.openscience.cdk.interfaces.IAtomContainer ac,
int[][] matrix,
int distanceCutOff)
returns all possible 2 point PPP patterns with max distanceCutOff. |
java.util.List<IFeature> |
getFingerprint3Point(org.openscience.cdk.interfaces.IAtomContainer ac,
int[][] matrix,
int distanceCutoff,
ExtendedAtomAndBondTyper typer)
generates all possible patterns between three atoms |
java.util.List<IFeature> |
getFingerprint3PointPPP(org.openscience.cdk.interfaces.IAtomContainer ac,
int[][] matrix,
int distanceCutOff)
returns all possible 3 point PPP patterns with max distanceCutOff. |
Methods inherited from class java.lang.Object |
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equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
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public CombinatorialPatternHelper()
Method Detail |
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public java.util.List<IFeature> getFingerprint2PointPPP(org.openscience.cdk.interfaces.IAtomContainer ac, int[][] matrix, int distanceCutOff)
ac
- matrix
- distanceCutOff
-
public java.util.List<IFeature> getFingerprint3PointPPP(org.openscience.cdk.interfaces.IAtomContainer ac, int[][] matrix, int distanceCutOff)
ac
- matrix
- distanceCutOff
-
public java.util.List<IFeature> getFingerprint2Point(org.openscience.cdk.interfaces.IAtomContainer ac, int[][] matrix, int distanceCutoff, ExtendedAtomAndBondTyper typer)
ac
- matrix
- distanceCutoff
- typer
-
public java.util.List<IFeature> getFingerprint3Point(org.openscience.cdk.interfaces.IAtomContainer ac, int[][] matrix, int distanceCutoff, ExtendedAtomAndBondTyper typer)
ac
- matrix
- distanceCutoff
- typer
-
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