Retrieving id when storing structure using jcman

We are integrating JChem and Marvin into the institution repository software DSpace. As part of our integration, we are adding MarvinSketch to a submission process; the user draws a structure in MarvinSketch, adds additional information in the form of metadata, then submits the record to DSpace's workflow.

So far, we have determined that we can store a structure created in MarvinSketch using jcman into JChem's structures table. What we now need is a method for retrieving the newly created structures record's id (I'm assuming this is from the cd_id field). Is this possible and how would we go about doing it? I notice that jcman does not return the newly created record's id.

Any help much appreciated.

I move this topic to JChem forum. JChem guys can answer the question.

Hi,

 

The same question has been raised here recently:

https://www.chemaxon.com/forum/viewpost33450.html#33450

Apparently the user found a workaround before we implement this funcionality:

If your table does not contain duplicates, trying to insert 2x the same structure with --nonduplicates the cd_id should be reported as duplicate.

Best regards,

Szilard

 

Great thanks. Yes we do not allow duplicates.

Would this be something that could be achieved using the JChem API. I see in the chemaxon.jchem.db.Importer class that there is a getImportedIDs method. For example, if we could retrieve the structure created in MarvinSketch and imported it using the Importer class, would getImportedIDs return our new record's cd_id?

 

If you can use JChem API, it is way better than command-line.

I suggest to 

- get the structure source from the MarvinSketch, e.g. in "mrv" format 

- insert the structure source using UpdateHandler. It has an option to return the cd_id :  call "execute(true)".

Please see this section of the developer's guide:

http://www.chemaxon.com/jchem/doc/dev/modify/index.html#modify_rows

Best,

Szilard