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Task #3139

Task #2045: API design and language bindings

Feature #2994: Data flow topology in gmxapi 2020

gmxapi Futures should be subscribable

Added by Eric Irrgang 3 months ago. Updated 3 months ago.

Status:
New
Priority:
Normal
Assignee:
Category:
gmxapi
Target version:
-
Difficulty:
uncategorized
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Description

In order to dispatch work between Context instances, and to better implement functionality like looping, we should move to an observer pattern for data flow implementation details. This means that a Context will maintain knowledge of subscribers to the Futures it manages so that it can notify of data availability. Additionally, if a subscriber can consume multiple iterations of a Future (subgraph nodes in a while loop), it will be much easier to update the graph state and metadata (such as input figure prints).


Related issues

Related to GROMACS - Feature #3149: Python user interface for obtaining simulation artifacts as files.New
Related to GROMACS - Feature #3179: Clarify access to parallel data outputsNew
Blocks GROMACS - Feature #3138: Improve ensemble support in Context specification.New

History

#1 Updated by Eric Irrgang 3 months ago

  • Blocks Feature #3138: Improve ensemble support in Context specification. added

#2 Updated by Eric Irrgang 3 months ago

  • Private changed from Yes to No

#3 Updated by Eric Irrgang 3 months ago

  • Related to Feature #3149: Python user interface for obtaining simulation artifacts as files. added

#4 Updated by Eric Irrgang 3 months ago

  • Related to Feature #3179: Clarify access to parallel data outputs added

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