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Feature #3140

Task #2045: API design and language bindings

Feature #2993: Scalar and structured type expression and definitions for API

Allow explicit input definition for gmxapi.operation function wrapper

Added by Eric Irrgang about 1 year ago. Updated 12 months ago.

Status:
New
Priority:
Normal
Assignee:
Category:
gmxapi
Difficulty:
uncategorized
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Description

Currently, only functions with type-hint annotations can be wrapped, and type-hint annotations are the only way to define the inputs of a wrapped function. This is less flexible that we might like, but we will also need to update the way input types are expressed in the near future. Transitions during development will be smoother if we separate the type hinting from the operation definitions. Note, also, that Python static type check implementation is explicitly distinct from run time typing, and this feature is a step along the way of clarifying gmxapi type-hinting Generics, virtual abstract base classes, and actual (inherited) interfaces.


Related issues

Related to GROMACS - Bug #3150: gmxapi data type annotations are confusing and inadequateNew

History

#1 Updated by Eric Irrgang about 1 year ago

  • Private changed from Yes to No

#2 Updated by Eric Irrgang about 1 year ago

  • Related to Bug #3150: gmxapi data type annotations are confusing and inadequate added

#3 Updated by Eric Irrgang 12 months ago

  • Target version changed from 2020 to 2021-infrastructure-stable

This was deemed to entail too much of an interface and code factoring change for gmxapi 0.1 and GROMACS 2020

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