Dataset Manipulation – Add Molecule Title Field

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

  • Task-based/Data Science/Manipulation


If “Write out dataset” is set to false, this floe takes an existing dataset and adds a string field with the titles of molecules from the primary molecule field of that dataset. Otherwise the floe writes out a new dataset that is the same as the input dataset, with this new string field.

Promoted Parameters

Title in user interface (promoted name)


Input Dataset (data_in): Dataset to update with title field

  • Required

  • Type: data_source

Mol Title Field (title_field):

  • Type: field_parameter::string

  • Default: title_field

Dataset fields to add/update. (fields_to_update): Toggles which dataset fields will be added/updated. Fields are specified by their respective parameters promoted names (or names otherwise) in the choices attribute of this parameter.

  • Required

  • Type: string

  • Default: [‘title_field’]

  • Choices: [‘title_field’]


Write out dataset (switch_out): If off, then the ‘out’ dataset is not generated.

  • Required

  • Type: boolean

  • Default: False

  • Choices: [True, False]

Output out dataset (out):

  • Type: dataset_out

  • Default: out