Package com.actelion.research.chem.mcs
Class ExhaustiveFragmentGeneratorParallizer
- java.lang.Object
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- com.actelion.research.chem.mcs.ExhaustiveFragmentGeneratorParallizer
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public class ExhaustiveFragmentGeneratorParallizer extends java.lang.Object
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Field Summary
Fields Modifier and Type Field Description static int
TOTAL_CAPACITY
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Constructor Summary
Constructors Constructor Description ExhaustiveFragmentGeneratorParallizer(int bits)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description java.util.List<Fragment>
getFragmentList()
void
process(Pipeline<StereoMolecule> queuePipe, int maxSizeFrag, boolean cleaveRingBonds, boolean addWildcards)
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Method Detail
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process
public void process(Pipeline<StereoMolecule> queuePipe, int maxSizeFrag, boolean cleaveRingBonds, boolean addWildcards)
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getFragmentList
public java.util.List<Fragment> getFragmentList()
- Returns:
- list of unique fragments.
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