crystal_plan
Build and resolve a crystal-energy workflow for one task over one or more CIFs, write it idempotently to disk, estimate size, and make every default explicit.
Instructions
Build and resolve a workflow for one task over one or more CIFs, write it to disk (idempotent) and estimate its size. Every default becomes explicit.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| task | Yes | ||
| model | No | Model card id; omitted means the packaged default model. | |
| options | No | Workflow overrides using ce-workflow/0.1 field names (see crystal_help topic=workflow). | |
| cif_paths | Yes | Absolute CIF paths; series needs two or more. |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| ok | Yes | ||
| error | No | ||
| estimate | No | ||
| resolved | No | The resolved ce-workflow/0.1 document at workflow_path. | |
| workflow_path | No | ||
| validation_errors | No |