schrodinger.structutils.block_data module

Access non-scalar structured data stored on a Structure.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.structutils.block_data.get_blocks(st, truncate=False)

Return a dict representation of data blocks in given a Structure object. A block is a dict, and subblocks are stored in a list which is a value within the parent block’s dict. This includes data in the both the unrequested and additiona data handles.

Parameters:
  • st (structure.Structure or int) – structure object or mmct handle
  • truncate (bool) – whether to truncate multiple instances of the same blocks as a single dict containing only the first subblock, or return all repeated blocks as a list of dicts