Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

RDF example notebook missing information #54

Closed
RainierBarrett opened this issue Oct 12, 2022 · 4 comments
Closed

RDF example notebook missing information #54

RainierBarrett opened this issue Oct 12, 2022 · 4 comments
Milestone

Comments

@RainierBarrett
Copy link

In the module_intros/density.RDF-AccumulateFluid.ipynb notebook, there is the following line:

The difference between accumulate (which should be called on a series of frames) and compute (meant for a single frame) is more striking for smaller bin sizes, which are statistically noisier.

However, the example in the cell below calls the same function for plotting RDFs defined in a previous cell, which does not feature any accumulate call. Is there a missing definition here, or just a change in how the compute method behaves?
As-is, it's a little confusing how to properly use this method going off of this doc, or how/whether accumulate should be used.

@tommy-waltmann
Copy link
Contributor

Thanks for bringing this to our attention @RainierBarrett , the wording there is confusing and I suspect this example was not properly updated since the old freud 1.x days.

Since freud v2.x, accumulating an RDF over multiple frames of trajectory data is controlled through the reset argument to the compute method. See the documentation on that argument here . When reset=False, data will be accumulated over multiple frames of trajectory data when compute is called multiple times in succession. When reset=True the RDF calculation will start over from scratch on each separate call to compute.

Hope this clears everything up, if you have any more questions feel free to ask!

@tommy-waltmann tommy-waltmann added this to the v3.0.0 milestone Feb 24, 2023
@tommy-waltmann
Copy link
Contributor

tommy-waltmann commented Feb 24, 2023

We'll update this example for the freud v3 release, since RDF underwent an API change on the main repository. See glotzerlab/freud#1013

@RainierBarrett
Copy link
Author

Great! Thanks :)

@tommy-waltmann
Copy link
Contributor

tommy-waltmann commented Feb 24, 2023

We'll keep the issue open for tracking purposes. I'll close it for good after we update the example at some point in the future.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants