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-- Gustavo Seabra. On Wed, Jun 30, 2021 at 10:37 PM Jason Swails <jason.swails.gmail.com> wrote: > On Wed, Jun 30, 2021 at 7:54 PM David A Case <david.case.rutgers.edu> > wrote: > > > On Mon, Jun 28, 2021, Shiji Zhao wrote: > > > > >I hereby propose 2 changes that fix mdout_analyzer.py. > > > > > > > > > - Change line 73 of mdoutanalyzer/mdout.py to: self.num_terms = > > > self.num_steps / self.properties['ntpr'] + 1 > > > > As far as I can see, this is already what line 73 says. Can you double > > check? > > > > > - Change line 226 of mdoutanalyzer/widgets.py to: fig.draw() > > > > I can push this change to the master branch. > > > > Is there a test case for this script? > > > > No (it's hard to unit-test GUI code). Basically just run it and see if it > "works." > > I'm curious if this script is used much - it was a pet project when I was > experimenting with making GUIs. While it may be pedagogically > useful/helpful to beginners, I certainly wouldn't use it to generate > production-quality figures. > > If nobody uses it we can drop it from the Amber code base and just throw it > up on GitHub if people *really* want it for some reason. > > Does anybody use it? Does anybody even know it exists? It's got an > obligatory paragraph on page 592 of the Amber 20 manual, but it wouldn't > hurt my feelings to just get rid of it :) > > Thanks, > Jason > > -- > Jason M. Swails > _______________________________________________ > AMBER-Developers mailing list > AMBER-Developers.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber-developers > _______________________________________________ AMBER-Developers mailing list AMBER-Developers.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber-developersReceived on Thu Jul 01 2021 - 15:30:02 PDT