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Eine deutsche Version dieser Ankündigung finden Sie hier.

Leipzig Python User Group

Next Meeting Tuesday, February 8, 2016, 19:00

Attention: We will meet one hour earlier than usual and at a different venue:

Basislager Coworking Space
Peterssteinweg 14-16
04107 Leipzig

Raum: Mount Everest, 4th floor


Dr. Anne Weber

Modelling complex geochemical processes – A PyQt-based GUI improves the scientific workflow

Description

A PyQt based GUI was developed to enhance the accessibility of complex scientific water quality models. With the help of the GUI a non-scientific audience can simulate scenarios for in-situ removal of dissolved iron from groundwater. I will also focus on how the special design of a GUI and the data handling behind can structure complex processes, guide the user and minimize runtime errors.

Motivation

In hydrology the application of numerical simulation software is mostly restricted to scientists or specialized engineers. This is due to the general approach of the software to potentially represent as much 'reality' as possible and consequently also due to the complexity of processes they cover. In an engineer's business, however, there are well-defined tasks which increasingly depend on the application of such scientific simulation software.

Scientific background

Groundwater is one of the major resources for drinking water, but usually needs to be treated before supply. Often dissolved metals, such as iron or manganese, need to be removed. In-situ metal removal (MR) represents a cost-effective alternative to above-ground treatment of drinking water. Though due to complex geochemical processes and its inaccessibility it is more difficult to design and monitor. Today this technique is often applied in a rather empiric way and prognostic calculations for future applications are rarely found. Target of the present work was to develop a graphical user interface (GUI) that supports the individual design of in-situ MR reactors, depending on the site-specific hydraulic and chemical conditions. Approach

PyQt [1], the Python binding to the mighty Qt framework for programming GUIs, was used to develop a purpose-built graphical user interface: FeNariO. FeNariO enables the user to:

  • adapt a predefined scenario for in-situ removal of iron from groundwater,
  • run the scientific groundwater simulation software Modflow [2] for groundwater flow, PhreeqC [3] for chemical equilibration, and Pht3d [4] for reactive transport, and finally
  • extract or plot results.

Besides to the practical outcome, I will focus on my experiences, how complex processes can be handled employing the intrinsic capabilities of a graphical user interface, as:

  • the graphical layout (e.g. structuring the problem, data visualization),
  • predefined user interaction (e.g. directed data input, minimization of erroneous user input).

Conclusions

FeNariO is one example of how to increase the software accessibility to a broader, non-scientific audience. Having a well-defined modelling task which needs to be solved for many individual cases, purpose designed GUIs are one way to ease a future modelling workflow. As many scientists are already using Python as a programming language, it is obvious to have a glance at PyQt or PySide when developing these GUIs.

References

[1] https://wiki.python.org/moin/PyQt

[2] http://water.usgs.gov/ogw/modflow/MODFLOW.html

[3] http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/

[4] http://www.pht3d.org


Everybody who uses Python, plans to do so or is interested in learning more about the language is encouraged to participate.


While the meeting language will be mainly German, English speakers are very welcome. We will provide English interpretation if needed.

The dates of our next meetings can be found in our calendar.
Information about meetings can also be found on our mailing list.




The Python Academy is sponsor of Python Unconference 2015.

[PyUnconf 2015]

The Python Academy is sponsor of EuroSciPy 2015.

[EuroSciPy 2015]

The Python Academy is sponsor of EuroPython 2015.

[EuroPython 2015]

The Python Academy is sponsor of PyData Berlin 2015.

[PyData Berlin 2015]

The Python Academy is sponsor of PyCon Montréal 2015.

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The Python Academy is sponsor of Python BarCamp Köln 2015.

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The Python Academy is sponsor of Chemnitzer Linux-Tage 2015.

Chemnitzer Linux-Tage 2015 - 21. und 22. März 2015

The Python Academy is sponsor of Django Girls Wroclaw 2015.

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The Python Academy is sponsor of PyCon Ireland 2014.

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The Python Academy is sponsor of EuroSciPy 2014.

[EuroSciPy 2014]

The Python Academy is sponsor of PyData London 2014.

[PyData London 2014]

The Python Academy is sponsor of EuroPython 2014.

[EuroPython 2014]

The Python Academy is sponsor of PyCon 2014 Montréal.

[PyCon 2014 Montréal]

The Python Academy is sponsor of Python BarCamp Köln 2014.

[Python BarCamp 2014]

The Python Academy is sponsor of PyConDE 2013.

[PyCon DE 2013]

The Python Academy is sponsor of EuroPython 2013.

[EuroPython 2013]

The Python Academy is sponsor of PyCon US 2013.

[PyCon US 2013]

The Python Academy is sponsor of EuroSciPy 2013.

[EuroSciPy 2013]

The Python Academy is sponsor of PyConPL 2012.

[PyCon PL 2012]

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Python Academy sponsors EuroPython conference 2013
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Python Academy sponsors Python BarCamp in Cologne
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Introduction to Django, November 11 - 13, 2013
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Professional Testing with Python, November 25 - 27, 2013
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Advanced Django, January 13 - 15, 2014
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Python Academy sponsors PyCon US conference 2013
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Python Academy founder receives PSF Community Service Award
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