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})}
__class__

alias of builtins.type

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.livedesign.import_controller', '__doc__': '\n :cvar VERSION_8_1: the version by which we branch for the LD Client due to\n changes in the API.\n :vartype VERSION_8_1: float\n ', 'VERSION_8_1': 8.1, '__init__': <function ImportController.__init__>, 'importTabularData': <function ImportController.importTabularData>, 'import3DColumns': <function ImportController.import3DColumns>, '_import3DCol': <function ImportController._import3DCol>, '_combineStructures': <function ImportController._combineStructures>, '_combineStructuresUsingEntityID': <function ImportController._combineStructuresUsingEntityID>, '_combineStructuresUsingPoseID': <function ImportController._combineStructuresUsingPoseID>, '_getLiveDesignID': <function ImportController._getLiveDesignID>, '_makeLiveDesignIDsDict': <function ImportController._makeLiveDesignIDsDict>, '_makeXtalSourceDicts': <function ImportController._makeXtalSourceDicts>, '_getXtalSourceParams': <function ImportController._getXtalSourceParams>, '_getStructureAttachmentID': <function ImportController._getStructureAttachmentID>, '_getXtalSourceParamsDepracated': <function ImportController._getXtalSourceParamsDepracated>, '_downloadStructures': <function ImportController._downloadStructures>, '_downloadLigandStructures': <function ImportController._downloadLigandStructures>, '_orderDownloadedLigands': <function ImportController._orderDownloadedLigands>, '_appendDuplicateLigands': <function ImportController._appendDuplicateLigands>, '_appendDuplicateProteins': <function ImportController._appendDuplicateProteins>, '_getDownloadedProteins': <function ImportController._getDownloadedProteins>, '_readXtalResult': <function ImportController._readXtalResult>, '_combineTabularData': <function ImportController._combineTabularData>, '_combineStructure': <function ImportController._combineStructure>, '__dict__': <attribute '__dict__' of 'ImportController' objects>, '__weakref__': <attribute '__weakref__' of 'ImportController' objects>})
__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'schrodinger.application.livedesign.import_controller'
__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__weakref__

list of weak references to the object (if defined)