conformation
Class AlkaneDihedrals

java.lang.Object
  conformation.AlkaneDihedrals

public class AlkaneDihedrals

extends java.lang.Object

IUPAC nomenclature for alkane dihedrals.

http://www.iupac.org/goldbook/T06406.pdf

Author:

vincent

Field Summary

static int	antiPeriPlanarType
static int	antiType
static int	gaucheMinusType
static int	gauchePlusType
static int	minusAntiClinalType
static int	minusSynClinalType
static int	numDihedralTypes
static int	plusAntiClinalType
static int	plusSynClinalType
static int	synPeriPlanarType
static int	synType

Constructor Summary

AlkaneDihedrals()

Method Summary

static int	getDihedralType(double dihedralValue)
static boolean	isEclipsed(double dihedralValue)
static boolean	isGauche(double dihedralValue)
static boolean	isStaggered(double dihedralValue)

Methods inherited from class java.lang.Object

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

Field Detail

synPeriPlanarType

public static final int synPeriPlanarType

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Constant Field Values

plusSynClinalType

public static final int plusSynClinalType

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Constant Field Values

plusAntiClinalType

public static final int plusAntiClinalType

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Constant Field Values

antiPeriPlanarType

public static final int antiPeriPlanarType

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Constant Field Values

minusAntiClinalType

public static final int minusAntiClinalType

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Constant Field Values

minusSynClinalType

public static final int minusSynClinalType

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Constant Field Values

numDihedralTypes

public static final int numDihedralTypes

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Constant Field Values

synType

public static final int synType

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Constant Field Values

gauchePlusType

public static final int gauchePlusType

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Constant Field Values

antiType

public static final int antiType

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Constant Field Values

gaucheMinusType

public static final int gaucheMinusType

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Constant Field Values

Constructor Detail

AlkaneDihedrals

public AlkaneDihedrals()

Method Detail

getDihedralType

public static final int getDihedralType(double dihedralValue)

Parameters:

dihedralValue - the dihedral in radians in the IUPAC convention

Returns:

the IUPAC dihedral type

See Also:

Geometry.dihedral(double[], double[], double[], double[]), Geometry.iupac2math(double)

isEclipsed

public static final boolean isEclipsed(double dihedralValue)

Parameters:

dihedralValue -

Returns:

whether it's eclipsed

isStaggered

public static final boolean isStaggered(double dihedralValue)

Parameters:

dihedralValue -

Returns:

whether it's staggered

See Also:

esraMath

isGauche

public static final boolean isGauche(double dihedralValue)

Parameters:

dihedralValue -

Returns:

whether it's staggered

See Also:

esraMath