djay0529 / mdanalysis

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Code review request #191

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
Purpose of code changes on this branch: feature-hbonds_autocorrel2

Hydrogen bonding time autocorrelation function calculation module.

When reviewing my code changes, please focus on:
Whether the docs make sense, ie could you use it easily?

After the review, I'll merge this branch into:
/develop

Original issue reported on code.google.com by richardjgowers on 30 Jul 2014 at 12:55

GoogleCodeExporter commented 9 years ago

Original comment by richardjgowers on 30 Aug 2014 at 11:40

GoogleCodeExporter commented 9 years ago
+1 (see comments on the feature branch)

For general discussion:

With multiple hydrogen bond analysis tools it would make sense to create a 
hbonds submodule and group hbonds.py and the new autocorrel.py under it. We can 
import the main classes into the hbonds namespace in __init__.py so that users 
still see

   analysis.hbonds.HydrogenBondAnalysis
   analysis.hbonds.HBondAutoCorrel

(and come to think, name the latter HydrogenBondAutoCorrel just for aesthetics).

Opinions?

Oliver

Original comment by orbeckst on 31 Aug 2014 at 5:34

GoogleCodeExporter commented 9 years ago
Richard,

are you going ahead with making a full analysis.hbond submodule? Or should we 
close this review request?

Oliver

Original comment by orbeckst on 20 Jan 2015 at 7:10

GoogleCodeExporter commented 9 years ago
Yeah I'll try and sneak this in 0.9 too

Original comment by richardjgowers on 20 Jan 2015 at 11:10

GoogleCodeExporter commented 9 years ago

Original comment by richardjgowers on 22 Jan 2015 at 7:44