jklustor-overlap-0.0.2-20140619012940 (ChemAxon)


com.chemaxon.overlap.io
Interface StructureRecord

All Known Implementing Classes:
StructureRecordImpl

@Beta
public interface StructureRecord

Wraps an imported molecule.

This intermediate wrapper supplies read molecules from MRecordReader and MolImporter based implementations.

Thread safety: a single record instance is not thread safe, however method parseMolecule() of multiple instances resulting from the same source can accessed on different threads.

Please note that this interface is marked with Beta annotation, so it can be subject of incompatible changes or removal in later releases.

Author:
Gabor Imre

Method Summary
 int getReadIndex()
          Represented structure/record index.
 Optional<String> getStructureSource()
          Structure source if applicable.
 chemaxon.struc.Molecule parseMolecule()
          Parse molecule if not parsed successfully already.
 

Method Detail

getReadIndex

int getReadIndex()
Represented structure/record index.

0-based index of the structure in the structure file.

Returns:
0-based represented record index

getStructureSource

Optional<String> getStructureSource()
Structure source if applicable.

Structure source when returned by MRecord.getMolString() or otherwise applicable.

Returns:
Structure source if available

parseMolecule

chemaxon.struc.Molecule parseMolecule()
                                      throws chemaxon.formats.MolFormatException
Parse molecule if not parsed successfully already.

Returns:
Parsed molecule
Throws:
chemaxon.formats.MolFormatException - re-thrown parse exception

jklustor-overlap-0.0.2-20140619012940 (ChemAxon)