Package CHEM :: Package DB :: Module DBPopulator2 :: Class Isomer3DIteratorPreparer

Class Isomer3DIteratorPreparer

BaseDBPopulator.BaseIteratorPreparer --+
                                       |
                                      Isomer3DIteratorPreparer

Given a parent chemical object, call Corina to generate 3D isomer structures for processing.

Instance Methods

prepareIterator(self, parentObj)
Parent object should be a chemical model with an associated SMILES string to generate isomers from with Corina.

Inherited from BaseDBPopulator.BaseIteratorPreparer: __init__, newDefaultObject

Method Details

Parent object should be a chemical model with an associated SMILES string to generate isomers from with Corina.

If the parent chemical is not new, don't bother iterating through any of the isomers since they should supposedly already be in the DB.