httk.io.cif.cif_reader

Classes

rewindable_iterator

Functions

read_cif(fs[, pragmatic, allow_cif2, use_types])

Generic cif reader, given a filename / ioadapter it places all data in a python dictionary.

Module Contents

class httk.io.cif.cif_reader.rewindable_iterator(iterator: collections.abc.Iterable[str])

rewind(rewindstr: str | None = None) → None

httk.io.cif.cif_reader.read_cif(fs, pragmatic=True, allow_cif2=False, use_types=False)

Generic cif reader, given a filename / ioadapter it places all data in a python dictionary.

It returns a tuple: (header, list) Where list are pairs of data blocks names and data blocks

Each data block is a dictionary with tag_name:value

For loops, value is another dictionary with format column_name:value

The optional parameter pragmatic regulates handling of some counter-intuitive aspects of the cif specification, where the default pragmatic=True handles these features the way people usually use them, whereas pragmatic=False means to read the cif file precisely according to the spec. For example, in a multiline text field:

;
some text
;

Means the string ‘nsome text’. For this specific case pragmatic=True removes the leading newline.

set use_types to True to convert things that look like floats and integers to those respective types

A filename (str or os.PathLike) is opened through httk.core.TextstreamFileView, so a compressed file (.cif.bz2, .cif.gz, …) is decompressed transparently. An already-open text stream or a plain iterable of lines is consumed as-is and left open for the caller.