codtools.cifcodnumbers¶
Description¶
This plugin is specific for cif_cod_numbers
script.
Supported codes¶
- cif_cod_numbers
Inputs¶
CifData
A CIF file.
ParameterData
(optional)Contains the command line parameters, specified in key-value fashion. For more information refer to inputs for codtools.ciffilter plugin.
Outputs¶
ParameterData
Contains two subdictionaries:
duplicates
anderrors
. Induplicates
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 andformula
is the summary formula of the described datablock.
Errors¶
Run-time errors are returned line-by-line in the
ParameterData
object.