This workflow reads the molecules form the an MDL SD File and stores them into a database.
org.openscience.cdk.applications.taverna.io.iterative.IteratingFileReader
This constant string contains the name for the data origin. This is stored within the database
TestData
org.openscience.cdk.applications.taverna.database.pgchem.InsertMoleculeIntoDB
jdbc:postgresql://localhost/mol
testuser
testpwd
INSERT INTO molecules (molecule,originalid,origin,comment) VALUES(migrate_molecule(?),?,?,?)
org.openscience.cdk.applications.taverna.io.iterative.IteratingFileReaderGetContent
org.openscience.cdk.applications.taverna.tools.RemoveMOLFilesWithoutStructureFromList
org.openscience.cdk.applications.taverna.io.iterative.IteratingFileReaderHasNext
org.openscience.cdk.applications.taverna.io.iterative.IterativeFileWriter
org.openscience.cdk.applications.taverna.io.iterative.IterativeFileWriter
org.openscience.cdk.applications.taverna.tools.ExtractIDFromMolFile
org.embl.ebi.escience.scuflworkers.java.FailIfTrue
Completed
Insert_Molecule_into_database
HasNext
Scheduled
Running
Completed
Iterative_File_Writer
HasNext
Scheduled
Running
Completed
Iterative_File_Writer_Molecules_Without_Structures
HasNext
Scheduled
Running