public final class MoleculeContainerImpl extends Object implements MoleculeContainer
| Modifier and Type | Method and Description |
|---|---|
static MoleculeContainer |
fromSmiles(String smiles) |
static MoleculeContainer |
fromSource(String source) |
Molecule |
getMolecule()
Get represented structure.
|
String |
getSmiles()
Represented structure as Smiles.
|
String |
getSource()
Source used to create this container.
|
String |
toString() |
public static MoleculeContainer fromSmiles(String smiles)
public static MoleculeContainer fromSource(String source)
public Molecule getMolecule()
MoleculeContainergetMolecule in interface MoleculeContainerpublic String getSmiles()
MoleculeContainergetSmiles in interface MoleculeContainerpublic String getSource()
MoleculeContainergetSource in interface MoleculeContainer