Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Relationship to aiida-optimade #27

Open
chrisjsewell opened this issue Jun 16, 2021 · 1 comment
Open

Relationship to aiida-optimade #27

chrisjsewell opened this issue Jun 16, 2021 · 1 comment

Comments

@chrisjsewell
Copy link
Member

chrisjsewell commented Jun 16, 2021

@CasperWA has implemented https://github.com/aiidateam/aiida-optimade, which is essentially a specialised aiida server for optimade (mainly focused on querying for StructureData).
We should think if there is anything we can "share", be it actual code or just general ideas.

FYI @CasperWA you may be interested to see I took Optimade's filter grammar as an initial starting point for a querybuilder one: https://github.com/aiidateam/aiida-restapi/blob/master/aiida_restapi/static/filter_grammar.lark

@CasperWA
Copy link

@CasperWA has implemented https://github.com/aiidateam/aiida-optimade, which is essentially a specialised aiida server for optimade (mainly focused on querying for StructureData).

It has support also for CifData nodes, but a bit ad hoc at the moment, since it takes the nodes, converts them to StructureData on-the-fly, calculates and the OPTIMADE fields and stores them as Node extras in the original CifData nodes. So a bit more cumbersome process, but the idea is to "prepare" an AiiDA database like this prior to actually serving the data, and any filtering and querying is done on the Node extras (this is also true for StructureData nodes).

We should think if there is anything we can "share", be it actual code or just general ideas.

Sure. I'd love to discuss at some point.

FYI @CasperWA you may be interested to see I took Optimade's filter grammar as an initial starting point for a querybuilder one: https://github.com/aiidateam/aiida-restapi/blob/master/aiida_restapi/static/filter_grammar.lark

Yeah. I must admit I don't see much of a point as to why there is a need to define a whole new filter query language in this package for something that is already defined, either via JSON objects or through another established query language (like the use of GraphQL).

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants