Package com.actelion.research.chem.mcs
Class SubStructSearchExhaustiveTreeWalker
- java.lang.Object
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- com.actelion.research.chem.mcs.SubStructSearchExhaustiveTreeWalker
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public class SubStructSearchExhaustiveTreeWalker extends java.lang.Object
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Constructor Summary
Constructors Constructor Description SubStructSearchExhaustiveTreeWalker()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description int
findFragmentInMolecule()
java.util.List<int[]>
getMatches()
boolean
isMaxCapacityMatchListContainerReached()
The sub structure search algortihm stops if the maximum capacity of the match list container is reached.void
setFragment(StereoMolecule frag)
void
setMolecule(StereoMolecule mol)
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Method Detail
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setMolecule
public void setMolecule(StereoMolecule mol)
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setFragment
public void setFragment(StereoMolecule frag)
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findFragmentInMolecule
public int findFragmentInMolecule()
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getMatches
public java.util.List<int[]> getMatches()
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isMaxCapacityMatchListContainerReached
public boolean isMaxCapacityMatchListContainerReached()
The sub structure search algortihm stops if the maximum capacity of the match list container is reached.- Returns:
- true if maximum capacity of the match list container is reached. False otherwise.
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