schrodinger.application.livedesign.ld_import module¶

Classes used for LiveDesign import GUIs.

class schrodinger.application.livedesign.ld_import.ImportThreadRunner(*args, **kwargs)¶

Bases: schrodinger.application.livedesign.ld_base_classes.ImportExportThreadRunner

Perform the actual import in a thread to not block Maestro.

process_type = 'import'¶

runMain(task)¶: See tasks.BaseFunctionRunner for documentation.

postProcess(task)¶

If a task has successfully finished, perform synchronous post processing. If connected to maestro, import the structures into the project table. Otherwise, write out to an SD file.

Parameters:	task (tasks.AbstractTaskWrapper) – the finished task

schrodinger.application.livedesign.ld_import.save_to_disk(imported_sts, outfile)¶

Save the imported structures to disk.

Parameters:	imported_sts ({str: ({int: structure.Structure}, {structure.Structure: int})}) – The imported structures, expressed as an ordered dictionary by column name of pairs or ordered dictionaries containing the pose_id: ligand and protein: pose_id mappings. outfile (str) – the name of the output file to create

schrodinger.application.livedesign.ld_import.project_table_import(imported_sts)¶

Import structures into the project table, grouping them first by column name, then by protein.

Parameters:	imported_sts ({str: ({int: structure.Structure}, {structure.Structure: int})}) – The imported structures, expressed as an ordered dictionary by column name of pairs or ordered dictionaries containing the pose_id: ligand and protein: pose_id mappings.

schrodinger.application.livedesign.ld_import.project_table_select_only(entry_ids, pt)¶: shorthand for pt.selectRows with select_mode REPLACE

schrodinger.application.livedesign.ld_import.maestro_create_group(entry_ids, name, pt)¶: Creates a group from the current selection with the name specified. If groups are included in the selection this will create nested groups.

schrodinger.application.livedesign.ld_import.set_group(st, group_title, group_id)¶: Set the group for a structure by setting the M2IO_DATA_SUBGROUP_TITLE and M2IO_DATA_SUBGROUP_ID properties.

schrodinger.application.livedesign.ld_import.get_next_subgroup_id(subgroup_id_base, unique_subgroup_ids)¶: Get the next unique subgroup id by appending an index to a given base name.