public String getInchiKey ( ) throws CDKException { JniInchiOutputKey key ; try { key = JniInchiWrapper . getInchiKey ( output . getInchi ( ) ) ; if ( key . getReturnStatus ( ) == INCHI_KEY . OK ) { return key . getKey ( ) ; } else { throw new CDKException ( "Error while creating InChIKey: " + key . getReturnStatus ( ) ) ; } } catch ( JniInchiException exception ) { throw new CDKException ( "Error while creating InChIKey: " + exception . getMessage ( ) , exception ) ; } }
Gets generated InChIKey string .