There are users and downstream projects, such as asap-alchemy, that are more interested in ensuring that a certain number of Tasks exist per Transformation than in creating new Tasks.
This is especially the case when a user creates many iterations of AlchemicalNetworks in the same Scope that feature many Transformations in common. In this scenario, simply calling create_tasks or create_transformations_tasks on every Transformation of the submitted AlchemicalNetwork may generate more work than is necessary given existing results. A user that wants to only create new Tasks for entirely new Transformations would need to do a number of client calls to determine which Transformations have no Tasks before creating new ones.
To address this, we should create two new methods on the AlchemiscaleClient:
set_tasks: set the minimum number of Tasks on the given Transformation (and optionally extendsing another Task)
set_transformations_tasks: set the minimum number of Tasks for multiple Transformation (and optionally extendsing another Task), in a single call
These methods are functionally idempotent versions of create_tasks and create_transformations_tasks that already exist in the AlchemiscaleClient. They should take the same inputs as these existing methods, but will only create new Tasks where an insufficient number already exist.
dotsdl
commented
2 months ago
There are users and downstream projects, such as
asap-alchemy, that are more interested in ensuring that a certain number ofTasks exist perTransformationthan in creating newTasks.This is especially the case when a user creates many iterations of
AlchemicalNetworks in the sameScopethat feature manyTransformations in common. In this scenario, simply callingcreate_tasksorcreate_transformations_taskson everyTransformationof the submittedAlchemicalNetworkmay generate more work than is necessary given existing results. A user that wants to only create newTasks for entirely newTransformations would need to do a number of client calls to determine whichTransformations have noTasks before creating new ones.To address this, we should create two new methods on the
AlchemiscaleClient:set_tasks: set the minimum number ofTasks on the givenTransformation(and optionallyextendsing anotherTask)set_transformations_tasks: set the minimum number ofTasks for multipleTransformation(and optionallyextendsing anotherTask), in a single callThese methods are functionally idempotent versions of
create_tasksandcreate_transformations_tasksthat already exist in theAlchemiscaleClient. They should take the same inputs as these existing methods, but will only create newTasks where an insufficient number already exist.