public class MoleculeFeaturesTool extends Object
DataFeatures
Constructor and Description |
---|
MoleculeFeaturesTool() |
Modifier and Type | Method and Description |
---|---|
static boolean |
hasElementSymbols(IAtomContainer molecule) |
static boolean |
hasFormalCharges(IAtomContainer molecule) |
static boolean |
hasGraphRepresentation(IAtomContainer molecule)
Checks whether all bonds have exactly two atoms.
|
static boolean |
hasPartialCharges(IAtomContainer molecule) |
public static boolean hasPartialCharges(IAtomContainer molecule)
public static boolean hasFormalCharges(IAtomContainer molecule)
public static boolean hasElementSymbols(IAtomContainer molecule)
public static boolean hasGraphRepresentation(IAtomContainer molecule)
Copyright © 2021. All rights reserved.