Cryptic error on opening Sim with conflicting name with file in working directory about mdsynthesis HOT 4 CLOSED

Ah...I think this is one of perhaps quite a few cases where we expect Containers should work a certain way, but due to their simple __init__() rules, probably don't yet. I think it's worthwhile to lay out all the ways we can think of for initializing Containers, both from scratch and when regenerating them. I could add a fix that includes this case, but I'm curious if we can try and identify any others, too, to make it less of a band-aid and more of a settled specification.

For generation, these should work:

1. Sim('name'), where 'name' is not an existing file or directory in the current directory
2. Sim('name'), where 'name' is an existing directory without any state files already present
3. Sim('name', location='somedir'), where 'name' is not an existing file or directory in 'somedir'
4. Sim('name', location='somedir'), where './somedir/name' is an existing directory without any state files inside

For regeneration, these should work:

1. Sim('name'), where there exists only one Sim state file inside './name'
2. Sim('name/Sim.<uuid>.h5'), where there need not be only a single Sim state file in './name'

Everything else should fail with an exception indicating that no state file was found. I think that will tie up all the possibilities. Am I missing something?

from mdsynthesis.

This has been addressed in datreant/datreant#14. The location keyword has been ditched in favor of using the first argument to the constructor to specify the statefile location in every case.

For generation, these will all work:

1. Treant('treant'), where 'treant' is not an existing file or directory path
2. Treant('treant'), where 'treant' is an existing directory without Treant state files inside
3. Treant('/somedir/treant'), where 'treant' is not an existing file or directory in 'somedir'
4. Treant('/somedir/treant'), where 'treant' is an existing directory in 'somedir' without any Treant state files inside
5. Treant('somedir/treant', new=True), where 'treant' is an existing directory in 'somedir' with or without an existing Treant statefile
6. Treant('/somedir/treant'), where 'treant' is an existing directory in 'somedir' with other types of Treant files inside (such as a Group)

For regeneration, these will all work:

1. Treant('treant'), where there exists only one Treant state file inside 'treant'
2. Treant('treant/Treant.<uuid>.<ext>'), where there need not be only a single Treant state file in 'treant'

from mdsynthesis.

Well done! You're really putting in some awesome work on this.

from mdsynthesis.

@cing thanks! Getting close to a new release, so trying to tie up important issues.

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