Update mda dependency #63
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Since we need to pump our minimum version anyway this won't be a problem anymore.
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OK now everything runs with the new version of MDAnalysis. |
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This should work now also with 0.15.0 and the new releases |
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Current coverage is 89.48% (diff: 100%)@@ develop #63 diff @@
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Files 7 7
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- Hits 320 315 -5
Misses 22 22
Partials 15 15
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The initial missing import problem is now fixed in MDAnalysis development branch. We should still include these fixes. |
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@dotsdl ping |
| @@ -216,7 +215,11 @@ def _apply_resnums(self): | |||
| resnums = None | |||
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| if resnums: | |||
| self._treant._universe.residues.set_resnums(np.array(resnums)) | |||
| # Compatibility for MDAnalysis pre 0.16.0 | |||
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I think you can just switch to only the .resnums = resnums branch here, it was supported in 0.14
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Eventually we want to get rid of the storage of resnums here. The feature is hidden in MDS at the moment because we definitely won't be supporting it in the future, but it was really useful and important to work I was currently doing. With the new topology system in MDA and usage of persistent topologies we can completely eliminate this soon.
Thanks for this, @kain88-de. We keep it for now.
| @@ -216,7 +215,11 @@ def _apply_resnums(self): | |||
| resnums = None | |||
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| if resnums: | |||
| self._treant._universe.residues.set_resnums(np.array(resnums)) | |||
| # Compatibility for MDAnalysis pre 0.16.0 | |||
There was a problem hiding this comment.
Eventually we want to get rid of the storage of resnums here. The feature is hidden in MDS at the moment because we definitely won't be supporting it in the future, but it was really useful and important to work I was currently doing. With the new topology system in MDA and usage of persistent topologies we can completely eliminate this soon.
Thanks for this, @kain88-de. We keep it for now.
This includes various fixes to be usable with the new MDAnalysis version. kwargs can't be stored right now because of an old bug that has reappeared in MDAnalysis.