https://github.com/pauliacomi/pyGAPS-gui

A Qt graphical user interface for pyGAPS. WIP.
https://github.com/pauliacomi/pyGAPS-gui

Last synced: 3 months ago
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A Qt graphical user interface for pyGAPS. WIP.

• Host: GitHub
• URL: https://github.com/pauliacomi/pyGAPS-gui
• Owner: pauliacomi
• License: agpl-3.0
• Created: 2019-06-28T14:06:37.000Z (over 5 years ago)
• Default Branch: master
• Last Pushed: 2023-06-26T05:00:05.000Z (over 1 year ago)
• Last Synced: 2024-08-01T05:16:03.931Z (6 months ago)
• Language: Python
• Homepage:
• Size: 2.44 MB
• Stars: 17
• Watchers: 2
• Forks: 2
• Open Issues: 13
• Metadata Files:
  • Readme: README.rst
  • Changelog: CHANGELOG.rst
  • Contributing: CONTRIBUTING.rst
  • License: LICENSE

Awesome Lists containing this project

• awesome-adsorption - pyGAPS-gui

README

        
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pyGAPS-gui

   

   


========

Overview

========

pyGAPS-gui is a Graphical User Interface (GUI) for

`pyGAPS `__. It can be used to

import, process and fit adsorption isotherms in various formats.

Download the latest version for your system in the

`releases `__

section.

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--------------

pyGAPS-gui is currently **alpha** software. Things may break and change

without warning. You have been warned.

--------------

Features

========

-  Advanced adsorption data import and manipulation.

-  Routine analysis such as BET/Langmuir surface area, t-plot, alpha-s,

   Dubinin plots etc.

-  Pore size distribution calculations for mesopores (BJH,

   Dollimore-Heal).

-  Pore size distribution calculations for micropores (Horvath-Kawazoe).

-  Pore size distribution calculations using DFT kernels

-  Isotherm model fitting (Henry, Langmuir, DS/TS Langmuir, etc..)

-  Isosteric enthalpy of adsorption calculation.

-  IAST calculations for binary and multicomponent adsorption.

-  Parsing to and from multiple formats such as Excel, CSV and JSON.

-  An sqlite database backend for storing and retrieving data.

-  Simple methods for isotherm graphing and comparison.

.. figure:: docs/screenshot.png

   :alt: Screenshot

Installation for development

============================

To install the development version of pyGAPS-gui, pull this GitHub repo.

.. code:: bash

   git clone https://github.com/pauliacomi/pyGAPS-gui

Setup a virtual environment and install pyGAPS. For example using

``venv`` on linux: Due to some dependency hell, **pyGAPS-gui requires

Python 3.8**.

.. code:: bash

   cd pyGAPS-gui

   python -m venv ./.venv

   source ./.venv/bin/activate

   pip install .

Or using ``conda`` on Windows:

.. code:: pwsh

   cd pyGAPS-gui

   conda create -p ./.venv python=3.8

   conda activate ./.venv

   pip install .

Then run the app:

.. code:: bash

   pygapsgui

   # or

   python pyGAPS-gui.py