Edit LiveReport

In this tutorial you will learn with a simple example how to modify an existing LiveReport with the Connector.

The use case is the following: add calculated chemical properties on the molecules of a LiveReport. The user should be able to select a LiveReport and to specify which chemical properties to add to the selected LiveReport.

Topics covered:

• Get LiveReport Content component
• Add Columns to LiveReport component
• Test in Pipeline Pilot using Set Livedesign Connection Details component
• Registration of protocol in LiveDesign

Create protocol in Pipeline Pilot

• Create the new protocol

  • Open the Pipeline Pilot client.
  • Create a new protocol.
  • Save it somewhere in Protocols as "Add Chemical Properties". Your personal space is not accessible from the gadget.

• Get the LiveReport

  • Add the Get LiveReport Content component to your protocol.
  • Promote the LiveReport ID parameter to the protocol level.

• Calculate the properties

  • Add the Calculate Properties component from the BIOVIA Generic collection to your protocol.
  • Promote the UseProperties > PredefinedSet parameter, which contains the list of properties to calculate, to the protocol level and rename it "Properties".

• Add the properties to the LiveReport

  • Add the Add Columns to LiveReport component to your protocol.
  • Promote the LiveReport ID parameter to the protocol level.
  • Promote the Properties parameter to the protocol level to match the calculated properties.

Test protocol in Pipeline Pilot

• Connect to LiveDesign

  • Add the Set Livedesign Connection Details component to your protocol.
  • Fill in the LiveDesign Username and LiveDesign Password parameters with your LiveDesign credentials.
  • This is only for testing in Pipeline Pilot. After the test you should either clear these parameters or remove the component.

• Fill in the parameters of the protocol

  • Fill in the LiveReport ID parameter of the protocol with the identifier of a LiveReport which you can use for testing.

• Run the protocol

  • You can set the Design Mode to check the content of each record.
  • The number of records passing through the components should be the number of compounds available in the LiveReport used for testing.

• Check the LiveReport used for testing in LiveDesign

  • There should be new columns corresponding to the properties set by default in the Properties parameter.

Register protocol in LiveDesign

• Open the registration menu

  • Open LiveDesign and the gadget.
  • Click on the icon in the gadget menu. You can see it only if you are gadget administrator.

• Select the protocol

  • Browse the tree of Pipeline Pilot protocols.
  • Select the previously created "Add Chemical Properties" protocol.

• Define the inputs

  • Check that the type of the LiveReport ID parameter is LiveReport.
  • Change the description of the LiveReport ID parameter to "LiveReport to edit" as the final user will not see the identifier of the LiveReport but its name.
  • Simplify the description of the Properties parameter to "Properties to be calculated and added as new columns."
  • Click on "Next".

• Create the menu item

  • Select the location of the protocol in the menu. If needed you can create another folder or subfolder.
  • If needed set the draft mode to hide the protocol from non-administrator users.
  • Set the protocol description to something relevant like "Calculates chemical properties for the molecules in the LiveReport and add them as new columns.".
  • Click on "Add".

Test protocol in LiveDesign

• Select the newly registered "Add Chemical Properties" protocol in the gadget menu. If it has been saved in draft mode, the name of the protocol will be in italic and an icon will be in front of it.
• Check the description.
• Select the LiveReport that you want to modify in the field LiveReport ID. By default the current LiveReport is selected. You can only see the list of opened LiveReports in your current LiveDesigns session.
• Add a property not already present in the LiveReport from the Properties checkboxes to ensure that this list is taken into account.
• Click on "Submit".
• You should see the previously selected properties added the the selected LiveReport with "(Pipeline Pilot)" as suffix.