org.openscience.cdk.tools.features

Class MoleculeFeaturesTool

java.lang.Object

org.openscience.cdk.tools.features.MoleculeFeaturesTool

public class MoleculeFeaturesTool
extends Object

Utility that helps determine which data features are present.

Author:

egonw

See Also:

DataFeatures

Constructor Summary

Constructors

Constructor and Description
MoleculeFeaturesTool()

Method Summary

Methods

Modifier and Type	Method and Description
static boolean	hasElementSymbols(IMolecule molecule)
static boolean	hasFormalCharges(IMolecule molecule)
static boolean	hasGraphRepresentation(IMolecule molecule) Checks whether all bonds have exactly two atoms.
static boolean	hasPartialCharges(IMolecule molecule)

Methods inherited from class java.lang.Object

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

Constructor Detail

MoleculeFeaturesTool

public MoleculeFeaturesTool()

Method Detail

hasPartialCharges

public static boolean hasPartialCharges(IMolecule molecule)

hasFormalCharges

public static boolean hasFormalCharges(IMolecule molecule)

hasElementSymbols

public static boolean hasElementSymbols(IMolecule molecule)

hasGraphRepresentation

public static boolean hasGraphRepresentation(IMolecule molecule)

Checks whether all bonds have exactly two atoms.