ambit2.groupcontribution.nmr.nmr_1h

Class HAtomEnvironment

java.lang.Object

ambit2.groupcontribution.nmr.nmr_1h.HAtomEnvironment

public class HAtomEnvironment
extends Object

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	HAtomEnvironment.ShiftAssociation

Field Summary

Fields

Modifier and Type	Field and Description
Double	chemShift0
boolean	flagUse
String	flagUseString
GroupMatch	groupMatch
String[]	higherPriorityEnvironments
Integer	implicitHAtomsNumber
String	info
String	name
int[]	positionDistances
String[]	shiftDesignations
HAtomEnvironment.ShiftAssociation	shiftsAssociation
String	smarts
int[]	substituentPosAtomIndices
List<Substituent>	substituents

Constructor Summary

Constructors

Constructor and Description
HAtomEnvironment()

Method Summary

Modifier and Type	Method and Description
int	getPositionDistance(int shiftIndex)
int	getSubstituentPosAtomIndicex(int shiftIndex)
boolean	isHigherPriority(HAtomEnvironment hae)
String	toString()

Methods inherited from class java.lang.Object

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

Field Detail

flagUse

public boolean flagUse

flagUseString

public String flagUseString

name

public String name

smarts

public String smarts

info

public String info

chemShift0

public Double chemShift0

implicitHAtomsNumber

public Integer implicitHAtomsNumber

shiftDesignations

public String[] shiftDesignations

substituentPosAtomIndices

public int[] substituentPosAtomIndices

positionDistances

public int[] positionDistances

higherPriorityEnvironments

public String[] higherPriorityEnvironments

shiftsAssociation

public HAtomEnvironment.ShiftAssociation shiftsAssociation

substituents

public List<Substituent> substituents

groupMatch

public GroupMatch groupMatch

Constructor Detail

HAtomEnvironment

public HAtomEnvironment()

Method Detail

isHigherPriority

public boolean isHigherPriority(HAtomEnvironment hae)

getSubstituentPosAtomIndicex

public int getSubstituentPosAtomIndicex(int shiftIndex)

getPositionDistance

public int getPositionDistance(int shiftIndex)

toString

public String toString()

Overrides:

toString in class Object