Class TargetProperties
- java.lang.Object
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- org.openscience.cdk.smsd.algorithm.vflib.builder.TargetProperties
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- All Implemented Interfaces:
Serializable
@Deprecated public class TargetProperties extends Object implements Serializable
Deprecated.SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.Class for building/storing nodes (atoms) in the graph with atom query capabilities.- Author:
- Syed Asad Rahman <asad@ebi.ac.uk>
- See Also:
- Serialized Form
- Source code:
- main
- Belongs to CDK module:
- smsd
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Constructor Summary
Constructors Constructor Description TargetProperties(IAtomContainer container)
Deprecated.
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Method Summary
All Methods Instance Methods Concrete Methods Deprecated Methods Modifier and Type Method Description Integer
countNeighbors(IAtom atom)
Deprecated.IAtom
getAtom(int j)
Deprecated.int
getAtomCount()
Deprecated.IBond
getBond(IAtom atom1, IAtom atom2)
Deprecated.List<IAtom>
getNeighbors(IAtom atom)
Deprecated.
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Constructor Detail
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TargetProperties
public TargetProperties(IAtomContainer container)
Deprecated.- Parameters:
container
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Method Detail
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countNeighbors
public Integer countNeighbors(IAtom atom)
Deprecated.- Parameters:
atom
-- Returns:
- the connectedTargetAtomCountMap
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getNeighbors
public List<IAtom> getNeighbors(IAtom atom)
Deprecated.- Parameters:
atom
-- Returns:
- the connected Target Atom List
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getBond
public IBond getBond(IAtom atom1, IAtom atom2)
Deprecated.- Parameters:
atom1
-atom2
-- Returns:
- the map
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getAtomCount
public int getAtomCount()
Deprecated.- Returns:
- atom count
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getAtom
public IAtom getAtom(int j)
Deprecated.
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