diff --git a/README.md b/README.md index 2f4b206eb..e4c1fa25b 100644 --- a/README.md +++ b/README.md @@ -100,7 +100,11 @@ Note: A list of DFT unit functionals (`dft_unit_functionals.json`) is generated This directory contains Python and Javascript interfaces implementing the functionality to access and validate schemas and examples. -### A word on functionals +### Generative vs Non-generative keys +Generative keys are the fields which allow for user input prior to calculation of the final property values. A flag is included in the schema comments on the fields in [property schemas](schema/properties_directory): `isGenerative:true` marks which fields to use as subschemas in the generation of a user input schema. +- On properties allowing user inputs, additional fields may be tagged, as in [the `file_content` property](schema/properties_directory/non-scalar/file_content.json) + +### Additional The list of DFT unit functionals (`dft_unit_functionals.json`) is currently tracked via [git LFS](https://git-lfs.github.com). If one wishes to add a new unit functional to that list, please - edit the [prototype file](schema/models_directory/pb/qm/dft/dft_unit_functionals_proto.json) and @@ -132,4 +136,3 @@ This repository is an [open-source](LICENSE.md) work-in-progress and we welcome 2: [CateCom: A Practical Data-Centric Approach to Categorization of Computational Models](https://pubs.acs.org/doi/abs/10.1021/acs.jcim.2c00112) 3: [GitHub Standard Fork & Pull Request Workflow](https://gist.github.com/Chaser324/ce0505fbed06b947d962) - diff --git a/schema/core/reusable/file_metadata.json b/schema/core/reusable/file_metadata.json index 1100e468f..e966c32b0 100644 --- a/schema/core/reusable/file_metadata.json +++ b/schema/core/reusable/file_metadata.json @@ -9,7 +9,8 @@ }, "basename": { "description": "Basename of the file", - "type": "string" + "type": "string", + "$comment": "isGenerative:true" }, "filetype": { "description": "What kind of file this is, e.g. image / text", diff --git a/schema/properties_directory/non-scalar/file_content.json b/schema/properties_directory/non-scalar/file_content.json index 15c1bcd92..ae4c55e10 100644 --- a/schema/properties_directory/non-scalar/file_content.json +++ b/schema/properties_directory/non-scalar/file_content.json @@ -20,7 +20,8 @@ "image", "text", "csv" - ] + ], + "$comment": "isGenerative:true" }, "objectData": { "$ref": "../../core/reusable/object_storage_container_data.json"