REST elementalAnalysis parameters

Hello again,

Another little issue to report (I think). When I make a post request to get structure details (https://restdemo.chemaxon.com/#postdetails) with elementalAnalysis and I set the "single" option to false, the formula that is returned (and other structure details) don't combine salts. For example, if I post this (to /rest-v0/util/detail):

{

    "structures": [

        {"structure": "CCCC.Cl"}

    ],

    "display":  {

        "include": ["elementalAnalysis"],

        "parameters": {

            "elementalAnalysis": { "single": false }

        }

    }

}

The formula that comes back is C4H10. I believe if single mode is false, it should simply sum up the diferent components of the SMILES?

Did I misinterpret this somehow?

Thanks!

Craig

Hi Craig!

Thanks for the report, the documentation contains invalid information, actually the parameter name is "singleFragmentMode" instead of "single", please try it, we will correct the documentation for the next release.

Regards,
Peter