- <init>
Constructs a new MDLWriter that can write an array of Molecules to a Writer.
- accepts
- close
Flushes the output and closes this object.
- formatMDLInt
Formats an int to fit into the connectiontable and changes it to a String.
- write
Writes a IChemObject to the MDL RXN file formated output. It can only output
ChemObjects of type Rea
- writeAtomContainerSet
Writes a MoleculeSet to an OutputStream for the reaction.
- writeReaction
Writes a Reaction to an OutputStream in MDL sdf format.
- writeReactionSet
Writes an array of Reaction to an OutputStream in MDL rdf format.