public class SignatureMatcher
extends java.lang.Object
Constructor and Description |
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SignatureMatcher()
A signature matcher with min height of 1 and max height of 3.
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SignatureMatcher(int minHeight)
A signature matcher with max height of 3.
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SignatureMatcher(int minHeight,
int maxHeight)
A signature matcher that checks signatures between minHeight and
maxHeight.
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Modifier and Type | Method and Description |
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java.util.List<org.openscience.cdk.interfaces.IAtom> |
getMatchingRootAtoms(java.util.List<java.lang.String> signatureStrings,
org.openscience.cdk.interfaces.IAtomContainer atomContainer)
Search an atom container for the list of atoms that are the root atoms
for the supplied signatures.
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java.util.List<org.openscience.cdk.interfaces.IAtom> |
getMatchingRootAtoms(java.util.List<java.lang.String> signatureStrings,
org.openscience.cdk.interfaces.IReaction reaction)
Search a reaction for the list of atoms that are the root atoms for the
supplied signatures.
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public SignatureMatcher()
public SignatureMatcher(int minHeight)
minHeight
- the minimum signature height (inclusive) to checkpublic SignatureMatcher(int minHeight, int maxHeight)
minHeight
- maxHeight
- public java.util.List<org.openscience.cdk.interfaces.IAtom> getMatchingRootAtoms(java.util.List<java.lang.String> signatureStrings, org.openscience.cdk.interfaces.IReaction reaction)
signatureStrings
- the signatures to matchreaction
- the reaction to search for matching root atomspublic java.util.List<org.openscience.cdk.interfaces.IAtom> getMatchingRootAtoms(java.util.List<java.lang.String> signatureStrings, org.openscience.cdk.interfaces.IAtomContainer atomContainer)
signatureStrings
- the signatures to matchatomContainer
- the atom container to search for matching root atoms