httk.atomistic.io.cif.cif_reader ================================ .. py:module:: httk.atomistic.io.cif.cif_reader Attributes ---------- .. autoapisummary:: httk.atomistic.io.cif.cif_reader.logger Functions --------- .. autoapisummary:: httk.atomistic.io.cif.cif_reader.read_cif Module Contents --------------- .. py:data:: logger .. py:function:: read_cif(source, pragmatic = True, allow_cif2 = False, *, autocorrect = False, structural_only = False) Read CIF text as ``(data_blocks, header)``. Paths are opened through :class:`httk.core.TextstreamFileView`, including compressed CIF files. Open streams and iterables are consumed but left open. :param source: A filename, open text stream, or iterable of CIF lines. :param pragmatic: Accept selected common deviations from strict CIF tokenization. :param allow_cif2: Parse CIF2 list values in addition to CIF1 data. :param autocorrect: Drop malformed auxiliary loops and warn about each repair. :param structural_only: Retain only tags consumed by httk's structural adapters and skip auxiliary CIF1 loops. :return: The data blocks and the leading comment header. :raises ValueError: If a loop contains mismatched column value counts.