Package com.actelion.research.chem
Class AtomFunctionAnalyzer
- java.lang.Object
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- com.actelion.research.chem.AtomFunctionAnalyzer
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public class AtomFunctionAnalyzer extends java.lang.Object
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Constructor Summary
Constructors Constructor Description AtomFunctionAnalyzer()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static int
getNegativeNeighbourCount(StereoMolecule mol, int atom)
static boolean
hasUnbalancedAtomCharge(StereoMolecule mol, int atom)
static boolean
isAcidicOxygen(StereoMolecule mol, int atom)
static boolean
isAcidicOxygenAtPhosphoricAcid(StereoMolecule mol, int atom)
static boolean
isAlkylAmine(StereoMolecule mol, int atom)
static boolean
isAmide(StereoMolecule mol, int atom)
static boolean
isAmine(StereoMolecule mol, int atom)
static boolean
isArylAmine(StereoMolecule mol, int atom)
static boolean
isBasicNitrogen(StereoMolecule mol, int atom)
static boolean
isMemberOfNitroGroup(StereoMolecule mol, int atom)
static boolean
isNitroGroupN(StereoMolecule mol, int atom)
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Method Detail
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getNegativeNeighbourCount
public static int getNegativeNeighbourCount(StereoMolecule mol, int atom)
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isAlkylAmine
public static boolean isAlkylAmine(StereoMolecule mol, int atom)
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isAmide
public static boolean isAmide(StereoMolecule mol, int atom)
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isAmine
public static boolean isAmine(StereoMolecule mol, int atom)
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isArylAmine
public static boolean isArylAmine(StereoMolecule mol, int atom)
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hasUnbalancedAtomCharge
public static boolean hasUnbalancedAtomCharge(StereoMolecule mol, int atom)
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isAcidicOxygen
public static boolean isAcidicOxygen(StereoMolecule mol, int atom)
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isAcidicOxygenAtPhosphoricAcid
public static boolean isAcidicOxygenAtPhosphoricAcid(StereoMolecule mol, int atom)
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isMemberOfNitroGroup
public static boolean isMemberOfNitroGroup(StereoMolecule mol, int atom)
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isNitroGroupN
public static boolean isNitroGroupN(StereoMolecule mol, int atom)
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isBasicNitrogen
public static boolean isBasicNitrogen(StereoMolecule mol, int atom)
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