Class DefaultRGraphAtomMatcher
- java.lang.Object
-
- org.openscience.cdk.smsd.algorithm.matchers.DefaultRGraphAtomMatcher
-
- All Implemented Interfaces:
AtomMatcher
@Deprecated public class DefaultRGraphAtomMatcher extends Object implements AtomMatcher
Deprecated.This class is part of SMSD and either duplicates functionality elsewhere in the CDK or provides public access to internal implementation details. SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.Checks if atom is matching between query and target molecules.- Author:
- Syed Asad Rahman <asad@ebi.ac.uk>
- Source code:
- main
- Belongs to CDK module:
- smsd
-
-
Constructor Summary
Constructors Constructor Description DefaultRGraphAtomMatcher()
Deprecated.ConstructorDefaultRGraphAtomMatcher(IAtomContainer queryContainer, IAtom atom, boolean shouldMatchBonds)
Deprecated.ConstructorDefaultRGraphAtomMatcher(IAtomContainer queryContainer, IAtom template, int blockedPositions, boolean shouldMatchBonds)
Deprecated.Constructor
-
Method Summary
All Methods Instance Methods Concrete Methods Deprecated Methods Modifier and Type Method Description boolean
isBondMatchFlag()
Deprecated.boolean
matches(IAtomContainer targetContainer, IAtom targetAtom)
Deprecated.void
setBondMatchFlag(boolean shouldMatchBonds)
Deprecated.void
setMaximumNeighbors(int maximum)
Deprecated.void
setSymbol(String symbol)
Deprecated.
-
-
-
Constructor Detail
-
DefaultRGraphAtomMatcher
public DefaultRGraphAtomMatcher()
Deprecated.Constructor
-
DefaultRGraphAtomMatcher
public DefaultRGraphAtomMatcher(IAtomContainer queryContainer, IAtom atom, boolean shouldMatchBonds)
Deprecated.Constructor- Parameters:
queryContainer
- query atom containeratom
- query atomshouldMatchBonds
- bond matching flag
-
DefaultRGraphAtomMatcher
public DefaultRGraphAtomMatcher(IAtomContainer queryContainer, IAtom template, int blockedPositions, boolean shouldMatchBonds)
Deprecated.Constructor- Parameters:
queryContainer
- query atom containertemplate
- query atomblockedPositions
-shouldMatchBonds
- bond matching flag
-
-
Method Detail
-
isBondMatchFlag
public boolean isBondMatchFlag()
Deprecated.- Returns:
- the shouldMatchBonds
-
setBondMatchFlag
public final void setBondMatchFlag(boolean shouldMatchBonds)
Deprecated.- Parameters:
shouldMatchBonds
- the shouldMatchBonds to set
-
matches
public boolean matches(IAtomContainer targetContainer, IAtom targetAtom)
Deprecated.- Specified by:
matches
in interfaceAtomMatcher
-
setMaximumNeighbors
public void setMaximumNeighbors(int maximum)
Deprecated.- Parameters:
maximum
- numbers of connected atoms allowed
-
setSymbol
public void setSymbol(String symbol)
Deprecated.- Parameters:
symbol
-
-
-