public class CDKSMILES
extends java.lang.Object
Constructor and Description |
---|
CDKSMILES(org.openscience.cdk.interfaces.IAtomContainer mol,
boolean removeH,
boolean remove_AAM) |
Modifier and Type | Method and Description |
---|---|
java.lang.String |
getCanonicalSMILES() |
java.lang.String |
getGenericSMILES() |