schrodinger.application.livedesign.import_controller module

class schrodinger.application.livedesign.import_controller.ImportController(ld_client)

Bases: object

Variables:VERSION_8_1 (float) – the version by which we branch for the LD Client due to changes in the API.
VERSION_8_1 = 8.1
__init__(ld_client)

Initialize self. See help(type(self)) for accurate signature.

importTabularData(lr_id, lr_col_ids)

Import the tabular data from a Live Report given the live report id. This data will include identifiers for data in attachment columns, which can be imported with further calls to ImportController.

Parameters:
  • lr_id (str) – the live report id
  • lr_col_ids (None, or list of int) – ids of the desired columns from the live report. If None, all column data will be downloaded.
Returns:

structures containing all the tabular data

import3DColumns(lr_id, lr_columns, tabular_data_sts, lr_rows, callback=<function ImportController.<lambda>>)

Downloads 3D data for any columns in lr_columns with a 3D value type, and creates new structures from the 3D data if there is any, copying properties corresponding to columns in lr_columns from tabular_data_sts. Combines the 2D tabular data, which is always included as the first member of the resulting ordered dictionary. Then any 3D data columns are appended in order. The output is structured as an ordered dictionary with fields representing columns, including the 2D data. Each column consists of an ordered dictionary of {pose_id: ligand} mappings and an ordered dictionary of {protein: pose_id} mappings.

Parameters:
  • lr_id (str) – The live report id
  • lr_columns ([ld_models.Column]) – the desired columns from the live report
  • tabular_data_sts ([structure.Structure]) – The tabular data imported from LiveDesign
  • lr_rows (dict) – a dictionary containing row information downloaded from the LiveDesign server
  • callback (callable) – a callback function that takes the name of the current column as its only argument, ie callback(str)
Returns:

An ordered dictionary by column name of pairs or ordered dictionaries containing the pose_id: ligand and protein: pose_id mappings.

Return type:

{str: ({int: structure.Structure}, {structure.Structure: int})}