Add tpr_resid_from_one keyword to TPRParser#3153
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@@ Coverage Diff @@
## master #3153 +/- ##
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+ Coverage 90.97% 91.81% +0.84%
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Files 162 167 +5
Lines 22194 22703 +509
Branches 3198 3199 +1
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+ Hits 20190 20845 +655
- Misses 1381 1774 +393
+ Partials 623 84 -539
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orbeckst
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Thank you.
The CHANGELOG entries are in the wrong spot (1.0.0?).
The introduction of the tpr_resid_from_one keyword forces us to make this 1.1.0 according to https://semver.org/ (ping @IAlibay ).
package/CHANGELOG
Outdated
| * TPRParser indexing resids from 0 by default is deprecated in 1.0. | ||
| From 2.0 TPRParser will index resids from 1 by default. |
| .. versionchanged:: 1.0.2 | ||
| Added the ``tpr_resid_from_one`` keyword to control if | ||
| resids are indexed from 0 or 1. Default ``False``. |
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I thought we were going to leave 1.x at the 1.0.x states? It's becoming increasingly difficult to deal with Python 2.7, as evidenced by the recent issues with CI. What about putting the deprecation in 2.0 and then making the final change in a later release?
Tagging any interested @MDAnalysis/coredevs.
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Fixes #2364
Master version of #3152.
Changes made in this Pull Request:
False, keeping current status quotpr_resid_from_one=Falseindicating that default behaviour will change in 2.0PR Checklist