@PublicAPI public interface IMoleculeData
Modifier and Type | Method and Description |
---|---|
Molecule |
createMolecule()
Creates a Molecule content for the MoleculeData
|
java.lang.String |
getFormat()
Returns the format of the Molecule content
|
java.lang.String |
getId()
Returns the id of the Molecule content
|
Molecule |
getMolecule()
Returns the Molecule content of the MoleculeData
|
java.lang.String |
getStructure()
Returns the structure of the Molecule content
|
IMoleculeData[] |
getSubStructures()
Lists all sub structures belonging to this main structure.
|
boolean |
isEmpty()
Determines if we have an empty Molecule Data object.
|
void |
setId(java.lang.String id)
Sets the Id of the Molecule content
|
void |
setSubStructures(IMoleculeData[] subStructures)
Assign sub structure to this main structure.
|
Molecule getMolecule() throws MolFormatException
MolFormatException
Molecule createMolecule() throws MolFormatException
MolFormatException
java.lang.String getStructure() throws java.io.IOException
java.io.IOException
java.lang.String getFormat()
java.lang.String getId()
void setId(java.lang.String id)
id
- - The identifier of the Moleculeboolean isEmpty()
IMoleculeData[] getSubStructures()
void setSubStructures(IMoleculeData[] subStructures)
List
- of sub structures