[Kalzium] [gsoc] Molecular Calculator Project

Om Prasad Patri ompatri at gmail.com
Fri Mar 27 10:37:25 CET 2009


Hi,

      I'm a Computer Science undergrad from India applying for GSoC 2009.
This mail is regarding the Molecular Calculator project for Kalzium on the
ideas list. I have always had an affection towards chemistry hence, applying
to Kalzium. Also, I don't have any other commitments during my summer and
can concentrate on this project fully. I have been using KDE for a couple of
months now but haven't developed or gone into the source code. The present
'basic' molecular mass calculator in kalzium is pretty naive. I would love
to contribute by making a better GUI for the calculator which also enables
it to calculate other information like concentrations or number of moles
(molarity, normality, etc), and converting them from one unit to another
(say, g/l to mol/l).

As far as skills are concerned, I'm familiar with making GUI software (C++,
,Java) but am new to Qt. I have made GUI projects for academic purpose but
not for kde. Presently, I'm in the process of learning how to develop in kde
and obtaining and experimenting with the source code. I would be grateful if
you could give any links which I might have missed and which would help me
develop. (example:  how to make a multi-tabbed window). I hope to have a
good grasp of the developement process by the time SoC begins.

Hoping for some replies,

Regards,

Om Patri,

Sophomore, CS,

Indian Institute of Technology, Guwahati, India.
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*Project Information:* Kalzium already has a basic mass calculator for
molecules (in the sidebar). The goal of this project would be to add
full-blown widget that allows users to calculate masses of molecules, do
calculations with them, calculate concentrations (mol/l, g/l..) of
solutions... ChemicalDataObject already has the needed data to achieve this,
there's a parser for molecule formulas, so the project's goal is to make a
nice GUI and of course write code that uses that data in the good way.

*Expected results:*An easy-to-use (multi-tabbed?) window, where users can
enter what they know (molecule name and number of grams...), pick what they
want to know (number of mols).

*Knowledge Pre-Requisite:* Required: C++, Qt, basic knowledge of chemistry.


*Mentor:* Undecided.
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