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pygaps-gui's Introduction

Hi there ๐Ÿ‘‹

I'm a researcher working in the field of novel adsorbent materials for gas adsorption and separation.

I mainly code in ๐Ÿ python, with a sprinkle of C++, JS and LaTeX.

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pygaps-gui's Issues

DFT kernel missing

When attempting to characterise with DFT, the kernel file is not found.
image

BET fitting

Currently it's a bit fiddly to select the appropriate relative pressure region. A couple things I think could improve this;

  1. Being able to drag the limits
  2. Range of x axis decreasing with selected range, i.e. if selected range is 0.05-0.3, x-axis is 0.03-0.32. Having the full range is not helpful.
  3. Matching Rouquerol plot to above.

This however may just be preferences I have coming from the MicroActive software.

_devicePixelRatioF import issue in matplotlib

Hi,
I recently wanted to try py-GAPS GUI on Ubuntu 22.04.2 LTS. Using a conda install as follows :

conda create -n pygaps-gui python=3.8
conda activate pygaps-gui
pip install .

After running pygaps-gui, it gives :

  File "/opt/.conda/envs/pygaps-gui/lib/python3.8/site-packages/pygapsgui/widgets/IsoGraphToolbar.py", line 2, in <module>
    from matplotlib.backends.qt_compat import _devicePixelRatioF
ImportError: cannot import name '_devicePixelRatioF' from 'matplotlib.backends.qt_compat' (/opt/.conda/envs/pygaps-gui/lib/python3.8/site-packages/matplotlib/backends/qt_compat.py)

Indeed , _devicePixelRatioF have been removed in the last version of matplotlib (>= 3.7). Downgrading matplotlib to version 3.5.2 up to 3.6 fix this:
pip uninstall matplotlib && pip install matplotlib==3.5.2

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