httk.io.cif.cif_writer
======================

.. py:module:: httk.io.cif.cif_writer


Functions
---------

.. autoapisummary::

   httk.io.cif.cif_writer.is_sequence
   httk.io.cif.cif_writer.write_cif


Module Contents
---------------

.. py:function:: is_sequence(val)

.. py:function:: write_cif(ioa, data, header=None, max_line_length=80, use_types=False)

   Generic cif writer, given a filename / ioadapter

   data = the cif data to write as an (ordered) dictionary of tag_name:value

   header = the header (comment) segment

   max_line_length = the maximum number of characters allowed on each line. This should not be set < 80
   (there is no point, and the length calculating algorithm breaks down at some small line length)

   use_types =

      if True: always quote values that are of string type. Numeric values are put in the file unquoted (as they should)
      if False (default): also strings that look like cif numbers are put in the file unquoted

   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