codtools.cif_cod_numbers

Description

This plugin is specific for cif_cod_numbers script.

Supported codes

  • cif_cod_numbers

Inputs

Outputs

  • Dict

    Contains two subdictionaries: duplicates and errors. In duplicates correspondence between the database and supplied file(s) is described. Example:

    {
      "duplicates": [
        {
          "codid": "4000099",
          "count": 1,
          "formula": "C50_H44_N2_Ni_O4"
        }
      ],
      "errors": []
    }
    

    Here codid is numeric ID of a hit in the database, count is total number of hits for the particular datablock and formula is the summary formula of the described datablock.

Errors

Run-time errors are returned line-by-line in the Dict object.