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Strange hbond analysis deprecation #1668
Using the hbond analysis doesn't raise any warnings
Our own test code raises the about 150+ deprecation warnings for hbonds.
I'm not sure how to resolve this since it tells the user to initiate the class differently then to call this function. The code was written by @orbeckst in 2011. So does this still apply?
Currently version of MDAnalysis:
Is it really called "all the time"?
because the default is 'distance'. 'heuristic' can be chosen to the user if they know what they are doing.
To be honest, I am not sure if we need to keep the 'heuristic' version around. We could simply retire it. I don't remember any benchmarking results that compared the speed difference between the two but one could argue that we rather be always correct than fast but only sometimes correct.
OK I misunderstood the deprecation warning, because it refers to a function name and a setting chosen in
I just checked
However, now I suggest to deprecate it for 1.0 – no-one should be using it but it will users time to react. (We can then remove the