Saulius Gražulis

To wrap the things up – do we agree on the following position: > - *Symmetry operations (symops)*. The most complete way of describing a space group with a specific...

> I would just say that one should never assume the standard setting. If we do not, then having just an ITC number or a short H-M symbol in the...

> can just generate a list of ALL valid combinations of symmetry operations and we can put that in a schema and say: "The output MUST be exactly one of...

On 20/11/2018 01.44, Rickard Armiento wrote: > I suspect this will be impractical since the list of combinations > will be huge beyond manageability... > > Perhaps I'm missing something...

> But, right, that validation only works for fully periodic systems. If there are non-periodic directions, the situation gets a bit more tricky. Does the cif x,y,z format even properly...

> Not sure if this is the right page, but if anyone is looking for a symmetry code, aflow offers a nice suite of symmetry symbols, operations, Wyckoff positions, etc....

> If we require a canonical output (e.g., by a sorted list of operations), then one of us with a framework that uses complete sets of symmetry operations can just...

It seems from the issue #42 discussions that we have the following possibilities for querrying substrings: - STARTS WITH/ENDS WITH/CONTAINS; - LIKE with SQL-like semantics; - REGEXP of different kinds...

@rartino wrote: > So, my suggestion is for us to skip SQL LIKE entirely, and give the operator a different name, e.g., PATTERN with the conventions: > * for any...

@rartino wrote: > It would require a change in the grammar, so `\` is allowed for any character in a string token, marking that character as "literal". (Right now it...