Andrius Merkys

Results 194 comments of Andrius Merkys

> @merkys I think what you write could be a rationale for support at SHOULD level + query at MUST level. But are we not in agreement that not preventing...

I think we can restore the JSON:API compliance. I recall we removed all restrictions on IDs, but reserved URL characters still need URL-encoding (ID cannot have unencoded `?`, for instance)....

@rartino > (Surely our commitment to JSON API makes it too late to back off an integral feature in that standard at this point?) We may as well actually claim...

> In terms of the feature in its own merits, to me `/structures/1/elements` feels a bit unnatural (does it just return `["O", "Si"]`, or is it equivalent to `/structures/1?response_fields=elements` (i.e....

> and advising them to use '-stackoverflow' in their Google searches :P. This won't help. Web is full of other how-tos. If we refer to some other standard in our...

At COD we already have a test API endpoint: http://www.crystallography.net/cod-test/optimade/info. Feel free to test it! Keep in mind that we also use that sub-database as a testbed, from time to...

Some ideas might be borrowed from [Common Workflow Language](https://www.commonwl.org/), which is stable (v1.0.2) already.

> Very simple. Really nothing to it. I query "CC1=CC=CC=C1O" and you convert that to "c1(C)ccccc1O" because that is how that is saved on your system. These are extremely simple...

[CIF syntax](https://www.iucr.org/resources/cif/spec/version1.1/cifsyntax) allows to specify uncertainty in parenthesis following a value, for example, ``1.23(3)``, that stands for 1.23 ± 0.03. Having this in JSON would require numbers to be stored...

> My understanding is that most toolkits do have a method for percieving aromaticity so I'm not that clear on the use case. I am doing analysis of SMILES without...