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()
MoleculeContainer
getMolecule
in interface MoleculeContainer
public String getSmiles()
MoleculeContainer
getSmiles
in interface MoleculeContainer
public String getSource()
MoleculeContainer
getSource
in interface MoleculeContainer