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Re: CIF-JSON draft 2017-05-15

On 16 May 2017 at 04:16, Robert Hanson <hansonr@stolaf.edu> wrote:
Two points:

1. I do not understand the stripping of "data_" and "save_" from the names we have for these.

These are stripped as the data_ and save_ parts of the names perform a syntactical role in CIF, and the JSON curly brace essentially replaces their syntactical function of encapsulation.  Put another way, requiring that datablock names started with 'data_' would be unnecessary additional baggage.

2. Save frames.  What is the problem with just doing this?

That is, why the special "frames" list?

Well, we could do it the way you suggest, perhaps with a capital 'S'.  Is there any reason to prefer one over the other? I would have thought that putting all save frames under a single name would make processing a datablock slightly easier, as you don't have to check every block entry for the 'save_' sequence when running through a datablock, especially as these frames only occur in dictionaries.  To get all save frames under the current spec you would just have to go something like:

defs = myjson['blockname']['frames']

but if you need them under your proposal you'd have to go something vaguely like:

defs = myjson['blockname']
save_names = defs.keys().filter(key[0:5] == "save_")

The former approach is faster, and seems simpler but perhaps that's just me?

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