chemaxon.formats.documents.jchemoffice

Interface IMoleculeData

@PublicAPI
public interface IMoleculeData

Method Summary

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.

Method Detail

getMolecule

Molecule getMolecule()
              throws MolFormatException

Returns the Molecule content of the MoleculeData

Returns:

Molecule

Throws:

MolFormatException

createMolecule

Molecule createMolecule()
                 throws MolFormatException

Creates a Molecule content for the MoleculeData

Returns:

Molecule

Throws:

MolFormatException

getStructure

java.lang.String getStructure()
                       throws java.io.IOException

Returns the structure of the Molecule content

Returns:

Structure of the Molecule

Throws:

java.io.IOException

getFormat

java.lang.String getFormat()

Returns the format of the Molecule content

Returns:

Format of the Molecule

getId

java.lang.String getId()

Returns the id of the Molecule content

Returns:

Id of the Molecule

setId

void setId(java.lang.String id)

Sets the Id of the Molecule content

Parameters:

id - - The identifier of the Molecule

isEmpty

boolean isEmpty()

Determines if we have an empty Molecule Data object.

Returns:

true if there is no molecule data specified.

getSubStructures

IMoleculeData[] getSubStructures()

Lists all sub structures belonging to this main structure. (e.g. reaction components)

Returns:

Array of sub structures

setSubStructures

void setSubStructures(IMoleculeData[] subStructures)

Assign sub structure to this main structure. (e.g. Scaffold)

Parameters:

List - of sub structures