toxtree.tree.cramer3.groups

Enum E_Groups

java.lang.Object

java.lang.Enum<E_Groups>

toxtree.tree.cramer3.groups.E_Groups

All Implemented Interfaces:

Serializable, Comparable<E_Groups>

public enum E_Groups
extends Enum<E_Groups>

Enum Constant Summary

Enum Constants

Enum Constant and Description
acetal
acetylenic
alcohol
aldehyde
aliphatic_chain
alpha_diketone
carboxylic_acid
ester
isoprene
ketal
ketone
ketone_16B
lactone
mercaptan
methanol
polyoxyethylene
polysulfide
primary_alcohol
primary_amine
secondary_alcohol
sulfide
tertiary_alcohol
thioester

Method Summary

Modifier and Type	Method and Description
abstract String	getSMARTS()
int	natoms(int ngroups)
static E_Groups	valueOf(String name) Returns the enum constant of this type with the specified name.
static E_Groups[]	values() Returns an array containing the constants of this enum type, in the order they are declared.

Methods inherited from class java.lang.Enum

clone, compareTo, equals, finalize, getDeclaringClass, hashCode, name, ordinal, toString, valueOf

Methods inherited from class java.lang.Object

getClass, notify, notifyAll, wait, wait, wait

Enum Constant Detail

alcohol

public static final E_Groups alcohol

methanol

public static final E_Groups methanol

primary_alcohol

public static final E_Groups primary_alcohol

secondary_alcohol

public static final E_Groups secondary_alcohol

tertiary_alcohol

public static final E_Groups tertiary_alcohol

aliphatic_chain

public static final E_Groups aliphatic_chain

mercaptan

public static final E_Groups mercaptan

thioester

public static final E_Groups thioester

alpha_diketone

public static final E_Groups alpha_diketone

polysulfide

public static final E_Groups polysulfide

ketone

public static final E_Groups ketone

ketone_16B

public static final E_Groups ketone_16B

ketal

public static final E_Groups ketal

sulfide

public static final E_Groups sulfide

primary_amine

public static final E_Groups primary_amine

aldehyde

public static final E_Groups aldehyde

lactone

public static final E_Groups lactone

isoprene

public static final E_Groups isoprene

acetylenic

public static final E_Groups acetylenic

carboxylic_acid

public static final E_Groups carboxylic_acid

ester

public static final E_Groups ester

acetal

public static final E_Groups acetal

polyoxyethylene

public static final E_Groups polyoxyethylene

Method Detail

values

public static E_Groups[] values()

Returns an array containing the constants of this enum type, in the order they are declared. This method may be used to iterate over the constants as follows:

for (E_Groups c : E_Groups.values())
    System.out.println(c);

Returns:

an array containing the constants of this enum type, in the order they are declared

valueOf

public static E_Groups valueOf(String name)

Returns the enum constant of this type with the specified name. The string must match exactly an identifier used to declare an enum constant in this type. (Extraneous whitespace characters are not permitted.)

Parameters:

name - the name of the enum constant to be returned.

Returns:

the enum constant with the specified name

Throws:

IllegalArgumentException - if this enum type has no constant with the specified name

NullPointerException - if the argument is null

getSMARTS

public abstract String getSMARTS()

natoms

public int natoms(int ngroups)