Package org.openscience.cdk.fingerprint
Class GraphOnlyFingerprinter
java.lang.Object
org.openscience.cdk.fingerprint.AbstractFingerprinter
org.openscience.cdk.fingerprint.Fingerprinter
org.openscience.cdk.fingerprint.GraphOnlyFingerprinter
- All Implemented Interfaces:
IFingerprinter
Specialized version of the
Fingerprinter
which does not take bond orders
into account.- Author:
- egonw
- See Also:
- Source code:
- main
- Belongs to CDK module:
- standard
- Keywords:
- fingerprint, similarity
- Created on:
- 2007-01-11
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Field Summary
Fields inherited from class org.openscience.cdk.fingerprint.Fingerprinter
DEFAULT_SEARCH_DEPTH, DEFAULT_SIZE
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Constructor Summary
ConstructorsConstructorDescriptionCreates a fingerprint generator of lengthdefaultSize
and with a search depth ofdefaultSearchDepth
.GraphOnlyFingerprinter
(int size) GraphOnlyFingerprinter
(int size, int searchDepth) -
Method Summary
Modifier and TypeMethodDescriptiongetBitFingerprint
(IAtomContainer container, int size) protected String
getBondSymbol
(IBond bond) Gets the bondSymbol attribute of the Fingerprinter class.Methods inherited from class org.openscience.cdk.fingerprint.Fingerprinter
encodePaths, findPathes, getBitFingerprint, getBitFingerprint, getCountFingerprint, getParameters, getRawFingerprint, getSearchDepth, getSize, setHashPseudoAtoms, setPathLimit
Methods inherited from class org.openscience.cdk.fingerprint.AbstractFingerprinter
getFingerprint, getVersionDescription
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
Methods inherited from interface org.openscience.cdk.fingerprint.IFingerprinter
getFingerprint, getVersionDescription
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Constructor Details
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GraphOnlyFingerprinter
public GraphOnlyFingerprinter()Creates a fingerprint generator of lengthdefaultSize
and with a search depth ofdefaultSearchDepth
. -
GraphOnlyFingerprinter
public GraphOnlyFingerprinter(int size) -
GraphOnlyFingerprinter
public GraphOnlyFingerprinter(int size, int searchDepth)
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Method Details
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getBondSymbol
Gets the bondSymbol attribute of the Fingerprinter class. Because we do not consider bond orders to be important, we just return "";- Overrides:
getBondSymbol
in classFingerprinter
- Parameters:
bond
- Description of the Parameter- Returns:
- The bondSymbol value
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getBitFingerprint
- Throws:
Exception
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