flowchart for stretched_nmf algorithm

[aajayi-21]

[sbillinge]

This is a great start. Let's make an even higher level one that has all the internals as an empty box and it describes the inputs and the outputs. For the inputs, separate user-supplied inputs and the input files. For the outputs describe what form they are (such and such files, json dump etc) as well as what they are. This figure will be super-useful because it shows where we are starting from and where we are trying to get to, so we can try and figure out how we want to propagate arrays and data objects internally in such a way that we can get there.

Next, on the current figure, it would be helpful to have a bit more detail on what things are. For example, I see "calculate the value of the objective function, but what that function is is not defined. Is it sum of squares of agreement between calculated and measure curves across the entire set of input curves? Or just one? And so on.

[sbillinge]

really great though.....really helpful!

[aajayi-21]

Ok. I will do these things.

[aajayi-21]

In your first paragraph, I don't think I am 100% sure what you mean by making the design even higher level.

[aajayi-21]

[sbillinge]

In your first paragraph, I don't think I am 100% sure what you mean by making the design even higher level.

I mean the program is just an empty box (like a black box) and you are just showing what the inputs to the black box are and the outputs, but those in puts and outputs are quite detailed including types etc., file formats, etc.

What you supplied is not what I wanted because you did the inputs and the outputs of each sub-unit. I am trying to get a very high-level picture of the objective.

From what you wrote I think the inputs are
User input: string with path to a folder where the cif files are
Data inputs: files on disk that are text files in cif format

outputs:
I am still not sure from your flow-chart what the app will output.

[aajayi-21]

[sbillinge]

👍

…

On Thu, Jul 27, 2023, 10:25 PM Adeolu Ajayi ***@***.***> wrote: [image: Blank diagram] <https://user-images.githubusercontent.com/103291937/256656755-00386e26-dd86-4a3d-a2a2-20dc1c3e386f.png> — Reply to this email directly, view it on GitHub <#26 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABAOWUKRTW4IUTVWJPAVRULXSLFCVANCNFSM6AAAAAA2XYF2V4> . You are receiving this because you commented.Message ID: <diffpy/diffpy. ***@***.***>

[john-halloran]

Closed by #187. Maybe we'll want a graphic like this for the tutorial, but not this exact one.

[sbillinge]

closed per @john-halloran