New command: bootstrap-init
#88
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This is ready for review and comment. Without review, I will merge this after at least 24 hours, no sooner than Wed 28 Aug 12:00 GMT (14:00 my local). |
sroet
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one question about new parameter, feel free to ignore, LGTM otherwise
paths_cli/parameters.py
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| MULTI_INIT_SNAP = OPSStorageLoadMultiple( | ||
| param=Option('-f', '--init-frame', | ||
| help="identifier for potential initial snapshots"), | ||
| store='snapshots', | ||
| value_strategies=[GetByName('tags'), GetByNumber('snapshots')], | ||
| none_strategies=[GetOnlySnapshot(), | ||
| GetPredefinedName('tags', 'initial_snapshot')] | ||
| ) | ||
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No; the original idea in this branch was to write something that would be a single command to set up an entire network (which could require multiple initial snapshots). But that's a little too messy, and so I'd rather have the user set up one transition at a time.
Removed MULTI_INIT_SNAP in 8352adc.
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This provides a CLI interface for the
FullBootstrapinitialization from OpenPathSampling core, which is used in the MSTIS/MISTIS OPS example notebooks.