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  The Road to KDE 4: Kalzium and KmPlot
KDE Public Relations and Marketing Posted by Troy Unrau on Monday 29/Jan/2007, @15:36
from the so-they-can-learn-to-be-nerds-too dept.
Since not all of the development for KDE 4 is in base technologies, this week features two of applications from the KDE-Edu team: Kalzium, a feature-filled chemistry reference tool, and KmPlot, a powerful equation graphing and visualization program. Read on for the details.

These educational tools have received a lot of work for KDE 4. In particular, Kalzium and KmPlot developments are happening at an amazing rate.


Kalzium (the German word for Calcium) has been a part of KDE since version 3.1 and is now one of the most useful applications developed by the KDE-Edu team. Initially it was just a program that displayed the periodic table, alongside some useful numbers like atomic weights, boiling points, etc. It was later extended to include a lot of background information on the elements, and more detailed chemistry information (such as emission spectra) which made it a very useful chemistry reference.

In KDE 3.5.5 (which I used for these screenshots, even though 3.5.6 was released last week), Kalzium looks something like this when first loaded:

Kalzium in KDE 3.5.5
Click for fullsize.

You can see that the interface is pretty simple, and presents a lot of information. If you click on an element it brings up even more information on its properties.

The main user interface in KDE 4 does not look that different, except for the fact that Qt 4 introduces some appearance changes, and there are some more icons (some that haven't been drawn yet) in the toolbar. Here's a peek at Kalzium in the KDE 4 development series:

Kalzium in KDE 4x devel
Click for fullsize.

So Kalzium is visually quite similar between versions at this point. However, the important thing to note in the KDE 4 screenshot is the tools menu. In KDE 3.5.5, this menu contains only Plot Data and Glossary.

Plot Data shows the elements plotted in a variety of useful ways, such as mass, radius, electronegativity, etc. while the Glossary shows definitions for many of the more common chemical terms. It is apparently missing the above mentioned electronegativity, so evidently there is still room for improvement here. Making improvements to the Glossary would be a great opportunity for a chemistry-inclined person to contribute to Kalzium in KDE 4 without having to be a programmer.

Anyway, back to the new tools. I'll focus on a few of the newly developed tools that will make Kalzium even more useful in KDE 4:

The isotope table will display a list of isotopes and their decay methods - as a geologist for example, it is important for me to know that Potassium-40 usually decays by electron capture.

The new equation solver is also quite useful, as seen in the following screenshot provided by Kalzium lead developer Carsten Niehaus:

Kalzium Equation Solver in KDE 4x devel

You basically just punch in a chemical equation leaving letters in place of the numbers you are looking for, and it spits out a response. In high school chemistry, students are expected to be able to solve these sorts of equations manually, but like most equations, once you solve enough of them, it simply becomes tedious. This equation solver can save a lot of time for complex equations.

And finally, the most visible change to Kalzium is the inclusion of the Kalzium 3D work, which turns the program into a 3D molecule viewer. Initially, it was developed by the Kalzium developers for use in this application only, but some collaboration has since happened and it will now be using libavogadro a library jointly developed by the Kalzium and Avogadro developers.

According to the Kalzium developers work is progressing on porting the 3D modeller to use libavagadro, an effort led by Donald Curtis, providing a more general/powerful framework for rendering/manipulating molecules with Qt and OpenGL library. It is shared between Kalzium and Avogadro (and more). Avogadro is a much more advanced molecular modelling programs, useful for creating the actual molecule files, and doing quantum chemistry. Kalzium 3D will simply act as a viewer for files constructed using these programs.

Kalzium developer Benoît Jacob submits the following screenshot showing the 3D molecule viewer in action using the new Kalzium 3D functionality. This functionality is already SVN as this article goes to press, however work continues with libavogadro integration.

Kalzium 3d in KDE 4x devel
Click for fullsize.

Kalzium will likely ship with a library of common molecules ready to view provided by the BlueObelisk project. Thanks to the OpenBabel library, it should also be able to open molecule files in a huge variety of formats (I counted 62 file formats that it already supports).


On to our next KDE-Edu feature: KmPlot. For a while already, this application has had the ability to plot regular functions, parametric functions, and polar functions, as well as show derivatives (or regular functions) and a few other goodies. It has been useful as an equation visualization tool, but the interface has been awkward, with many little cluttered dialogs to fight with.

Below is KmPlot in KDE 3.5.5 with it's default settings, and three functions plotted, one of each type:

KmPlot in KDE 3.5.5

The dialogs used to plot these equations look something like this, except there is one unique dialog for each type of plot:

KmPlot dialog in KDE 3.5.5

Here's a quick look of the new KmPlot interface with the same three functions plotted. No more dialogs to mess with, and the plots can be in shapes other than square! Plus Qt 4 gives everything a nice anti-aliased touch.

KmPlot in KDE 4x devel
Click for fullsize.

KmPlot has received a huge amount of work, and should be one of the KDE 4's killer apps for students, engineers, and more. It plots differential equations now, has a new equation editor, and (as seen in the above screenshot) gives tips as to how to correct your equations.

The new equation editor is shown below with a differential equation being edited:

KmPlot equation editor in KDE 4x devel

As you can see, it's much easier to enter an equation when you can design the functions in a nice syntax checking editor like this one. There is a lot more work going into KmPlot than I can describe in just this article, so if you are interested in more information, check out its development status page.


KDE-Edu is a growing project, with many great applications being developed for a wide variety of age groups. They will have support for Windows and Mac as well, thanks to the improved QT 4 and KDE 4 libraries, and should become more popular programs as a result. Since there is so much great work happening here, expect some other KDE-Edu applications to show up in future articles.



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Over 40 comments listed. Printing out index only.
digg it!
by Patcito on Tuesday 30/Jan/2007, @16:54
http://digg.com/linux_unix/The_Road_to_KDE_4_Kalzium_and_KmPlot
[ Reply To This | View ]
glossary
by bkn on Tuesday 30/Jan/2007, @18:19
> Making improvements to the Glossary would be a great opportunity for a
> chemistry-inclined person to contribute to Kalzium in KDE 4 without having
> to be a programmer.

Or, if you're not chemistry-inclined why not suggest words or terms that you don't know and include those terms in the glossary? that way terms commonly known to chemists are not overlooked.

thanks for the great work!
[ Reply To This | View ]
Kalzium looks promising
by Rithvik on Tuesday 30/Jan/2007, @22:04
Especially the 3D viewer. Is there any chance of having a PDB viewer (Protein Databank) integrated into KDE? That would be really great. Apart from that, great work. Can't wait for KDE4
[ Reply To This | View ]
LaTeX support
by Peter on Tuesday 30/Jan/2007, @22:45
Does anybody know, if LaTeX support is planned for KmPlot or Kalzium (exporting molecules).

That would be really cool!
[ Reply To This | View ]
potting experimental data with kmplot?
by ups on Wednesday 31/Jan/2007, @07:10
The new interface of kmplot looks pretty cool and the feature listing is impressive. I just wonder why it does not support plotting of x,y-data (or have I overlooked something on the feature page)? To me as an engineer kmplot would be much more useful if I could compare experimental (x,y) data to mathematical functions, which kmplot plots so well.
[ Reply To This | View ]
Wasted effort - help Maxima, Axiom, Scilab
by jj on Wednesday 31/Jan/2007, @07:34
With _real_ mathematics open source projects like Axiom (CAS), Maxima (CAS), and Scilab (matlab like, feature-full and fast, unlike the stagnated Octave), and R (full-blown professional statistics environment - but in serious need of some spreadsheet interface) it's a real shame that KDE chooses to waste time with replicating functionalities that are already in other software, when eforts could be made to further those serious packages.
Stop writing toys. Stop playing.
[ Reply To This | View ]
About the R/S Phrases Icon
by "from Brazil with love" on Wednesday 31/Jan/2007, @07:55
At the Tools menu there is a R/S Phrases with an important simbol as the icon.

The icon used at R/S Phrases means Biohazard, it must be used only with biological threats like pathogenic baterias, virus, genetic modified foods, pieces of tissues from a sick guy and so on.

When you use a simbol for a diferent meaning, like the heavy rock band Biohazard, this simbol become weak. I think this simbol for R/S Phrases must be changed.

If you link this simbol with a rock band or a R/S Phrases you get a wrong meaning at your mind. If you see a package with this simbol at the streets you think: "Cool man, let me see what I got today.!" and hoooo hoooo you are infected.

This can sound geek, but this simbol is an international standard.

Thanks for the amazing work folks.
KDE must go on.!!
:-)
[ Reply To This | View ]
unicode
by Anonymous Coward on Wednesday 31/Jan/2007, @08:21
What's up with those -> arrows in the equation editor? We have Unicode (&#8594;) for a reason. Or is KDE not up to 1991 standards yet?
[ Reply To This | View ]
So....
by Aceler on Wednesday 31/Jan/2007, @08:25
Will KmPlot formulas and images can be integrated in Kword?
[ Reply To This | View ]
Colors and UI
by - on Wednesday 31/Jan/2007, @15:02
Why must all geeky apps consist of nothing but fluorescent colors? We left the EGA color palette ages ago, so please make an effort not to burn out eyes. Simply turning down the saturation slides might help.? And no, I'm not some artistic type: I'm a programmer and I have a sense of color, simply because I paid attention to it. Do the same, and you'll find people will suddenly not cringe when they see your presentation slides, graphs or flowcharts.

As for kmplot: I have to wonder why almost 2/3rds of the toolbar is dedicated to 3 buttons labeled "coordinate system I/II/III" when literally the only useful element is their icons. The huge buttons would just be as informative without a label (or if you have to add one, how about "Axes" ?), and would be best merged together in a single drop-down or horizontal button group. Or best: provide a simple "+" shaped diagram and let the user toggle each of the axes on or off by clicking them.

Seriously, take some cues from OS X's built-in Grapher application. It's tons easier to use, because it doesn't shove advanced features in your face if all you want to do is plot a graph.

http://en.wikipedia.org/wiki/Image:Grapherexample.jpg (toolbar hidden)
http://en.wikipedia.org/wiki/Image:GrapherToroid.jpg (toolbar visible and in 3D mode)

It has a much simpler layout, and keeps complicated options (such as exact coordinate ranges) away from the main screen using inspectors (aka floating palettes). Graphing applications should make it trivial to make simple doodle graphs and not be too obsessed with exact measurements until you need them. The math entry is transparent... you type things like "e^x" "sin x" "1/x-1" but they get formatted and edited appropriately.

Generally speaking, I think you have a problem if you design a graphing application where only a small part of the window is actually *covered by the graph*. Wasn't KDE4 supposed to be much more usable?
[ Reply To This | View ]
including ball-view
by chris on Thursday 01/Feb/2007, @04:17
hi guys,

first of all, i'd like to say thanks for the great work on KDE-Edu. I'm a bioinformatics student at the University of Tuebingen and one of our professors is developing this program (library respectively) to view biological molecules (BALL-View) and to perform biochemical computations (BALL lib).

As it is using QT and it's GPL/LGPL I thought you might want to have a look at it:
http://www.ball-project.org/Gallery


cheers,
Chris
[ Reply To This | View ]
From crowded to minimalism?
by Kjetil Kilhavn on Saturday 03/Feb/2007, @15:46
The old main window was probably a bit crowded, but the pendulum seems to have swung quite far the other way.

If the font size of the symbols can't be set by the user I suggest increasing it to the size from the 3.5 version.

Some people (teachers?) may also find it useful to have the mass available in the main window for all elements. Will the information that is displayed be configurable (hooray), or did you just decide it was too crowded (hoo)?
[ Reply To This | View ]
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