Class MolecularComplexityCalculator
- java.lang.Object
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- com.actelion.research.chem.properties.complexity.MolecularComplexityCalculator
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public class MolecularComplexityCalculator 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 MolecularComplexityCalculator()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description double
calculate(StereoMolecule mol)
void
finalize()
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Method Detail
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calculate
public double calculate(StereoMolecule mol)
- Parameters:
mol
-- Returns:
- NaN if complexity calculation failed or is not possible.
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finalize
public void finalize() throws java.lang.Throwable
- Overrides:
finalize
in classjava.lang.Object
- Throws:
java.lang.Throwable
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