Package chemaxon.marvin.calculations

Enum Class LogPMethod

java.lang.Object

java.lang.Enum<LogPMethod>

chemaxon.marvin.calculations.LogPMethod

All Implemented Interfaces:

Serializable, Comparable<LogPMethod>, java.lang.constant.Constable

@PublicApi
public enum LogPMethod
extends Enum<LogPMethod>

logP calculation method.

Since:

Marvin 15.4.13

Nested Class Summary

Nested classes/interfaces inherited from class java.lang.Enum

Enum.EnumDesc<E extends Enum<E>>

Enum Constant Summary

Enum Constants

Enum Constant	Description
CHEMAXON	Chemaxon logP calculation method.
CONSENSUS	Consensus model using Chemaxon and Klopman's models and the PhysProp database.
KLOPMAN	Calculation method based on Klopman's model.
PHYSPROP	Calculation method based on the PhysProp database.
USER_DEFINED	User defined logP calculation method.

Method Summary

Modifier and Type	Method	Description
static LogPMethod	valueOf(String name)	Returns the enum constant of this class with the specified name.
static LogPMethod[]	values()	Returns an array containing the constants of this enum class, in the order they are declared.

Methods inherited from class java.lang.Enum

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

Methods inherited from class java.lang.Object

getClass, notify, notifyAll, wait, wait, wait

Enum Constant Details

CONSENSUS

public static final LogPMethod CONSENSUS

Consensus model using Chemaxon and Klopman's models and the PhysProp database.

KLOPMAN

public static final LogPMethod KLOPMAN

Calculation method based on Klopman's model.

PHYSPROP

public static final LogPMethod PHYSPROP

Calculation method based on the PhysProp database.

CHEMAXON

public static final LogPMethod CHEMAXON

Chemaxon logP calculation method. The calculation method derived from the method of Viswanadhan, Ghose, et al.

USER_DEFINED

public static final LogPMethod USER_DEFINED

User defined logP calculation method. If a training set of structures and corresponding experimental logP values is created by the user, and stored in the appropriate format, it can be used as a database for related molecules' logP calculations.

Method Details

values

public static LogPMethod[] values()

Returns an array containing the constants of this enum class, in the order they are declared.

Returns:

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

valueOf

public static LogPMethod valueOf(String name)

Returns the enum constant of this class with the specified name. The string must match exactly an identifier used to declare an enum constant in this class. (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 class has no constant with the specified name

NullPointerException - if the argument is null