Cory Simon
Cory Simon
awesome, thanks, we are in business with Pluto now and MolecularGraph.jl now! one thing I couldn't figure out is how to write the SVG to file.
```julia canvas = SvgCanvas() draw2d!(canvas, mol) drawatomindex!(canvas, mol, bgcolor=MolecularGraph.Color(255, 255, 255)) d = tosvg(canvas, 300, 300) f = open("molecule.svg", "w") write(f, d) close(f) ``` for others looking for how to...
based on [here](https://stackoverflow.com/questions/28128491/svg-center-text-in-circle), felt like this would work, but it doesn't. :(  ```julia elem = """ $(text) """ ```
very oddly, I cannot re-create this behavior with the minimal example below! ```julia my_graph = SimpleGraph(350) add_edge!(my_graph, 1, 3) colorz = [colorant"red" for i = 1:nv(my_graph)] my_gp = gplot(my_graph, nodefillc=colorz,...
mk this is bizarre. the `PDF` function properly saves color when I put the `gplot(...)` directly into the function `draw`. so ```julia draw(PDF("toy_graph.pdf", 8cm, 8cm), gplot(...)) ``` totally works! it...
is it not dangerous/poor practice/ misleading to have an attribute as `false` in a data structure that is not `false` but rather `missing` or un-determined? this has caused a bug...
yes, this is a good addition. I have a hack for doing that here: https://gist.github.com/SimonEnsemble/a58ecbe7bc58f4afa817e36bf458be4a what is your plan for adding this feature? should be in `isotherms.py`. maybe, in `ModelIsotherm`,...
[the `@classmethod` is new to me. neat.] your proposal to make `df` default to `None` seems most elegant, but that changes the user-interface right? then we'd need to do `ModelIsotherm(df=)`...
oh, right, been a while since I've programmed intensely in Python. I like the way Julia [specifies optional and keyword arguments](https://docs.julialang.org/en/v1/manual/functions/#Optional-Arguments) when writing functions. :smile: great, then a PR is...
@LaurenRiley97, @richardjgowers Here are my thoughts on the phenomenon of fitting the `DSLangmuir` model to an isotherm and finding that (a) it does not converge to physical parameters and/or (b)...