Package com.actelion.research.chem

Class NastyFunctionDetector

java.lang.Object

com.actelion.research.chem.NastyFunctionDetector

public class NastyFunctionDetector
extends java.lang.Object

Field Summary

Fields

Modifier and Type	Field	Description
static java.lang.String[]	cNastyFunctionsUnknown
static java.lang.String[][]	sNastyFunction

Constructor Summary

Constructors

Constructor	Description
NastyFunctionDetector()

Method Summary

Modifier and Type	Method	Description
java.lang.String[]	getNastyFunctionList(StereoMolecule mol, long[] index)
java.lang.String	getNastyFunctionString(StereoMolecule mol, long[] index)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

cNastyFunctionsUnknown

public static final java.lang.String[] cNastyFunctionsUnknown

sNastyFunction

public static final java.lang.String[][] sNastyFunction

Constructor Detail

NastyFunctionDetector

public NastyFunctionDetector()

Method Detail

getNastyFunctionList

public java.lang.String[] getNastyFunctionList(StereoMolecule mol,
                                               long[] index)

Parameters:

mol -

index - FragFp descriptor

Returns:

list of names of detected nasty function or null in case of initialization error

getNastyFunctionString

public java.lang.String getNastyFunctionString(StereoMolecule mol,
                                               long[] index)

Parameters:

mol -

index - FragFp descriptor

Returns:

'; ' separated list of detected nasty function names