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Bug #3141

Task #2045: API design and language bindings

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

gmxapi File placeholders missing from beta release

Added by Eric Irrgang about 1 month ago. Updated about 1 month ago.

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

The example scripts for the 2020 gmxapi functionality indicate placeholder syntax for output files produced by gmxapi.commandline_operation, but this placeholder syntax was overlooked for beta 1. The placeholder allows a filesystem location to be managed by the execution context so that output files that do not yet exist can be referenced as input files for other operations.


Related issues

Related to GROMACS - Feature #3149: Python user interface for obtaining simulation artifacts as files.New

History

#1 Updated by Eric Irrgang about 1 month ago

  • Private changed from Yes to No

#2 Updated by Eric Irrgang about 1 month ago

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

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