Class ChargedGroupDetector
- java.lang.Object
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- com.actelion.research.chem.phesa.pharmacophore.ChargedGroupDetector
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public class ChargedGroupDetector extends java.lang.Object
derives charged groups- Author:
- wahljo1
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Constructor Summary
Constructors Constructor Description ChargedGroupDetector(StereoMolecule mol)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description java.util.ArrayList<ChargePoint>
detect()
java.util.List<java.util.ArrayList<java.lang.Integer>>
getChargedGroups()
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Constructor Detail
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ChargedGroupDetector
public ChargedGroupDetector(StereoMolecule mol)
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Method Detail
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detect
public java.util.ArrayList<ChargePoint> detect()
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getChargedGroups
public java.util.List<java.util.ArrayList<java.lang.Integer>> getChargedGroups()
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