Bug#540474: kalzium: The displayed ionisation energy is wrong because of false unit conversion
Package: kalzium
Version: 4:4.3.0-2
Severity: normal
Tags: patch
The database contains the specific ionisation energy in eV
(electronvolt) but the code assumes kJ/mol (kilojoule per mole).
The unit conversion factor is also imprecise.
The appended patch (for upstream and/or debian/patches/) fixes this.
-- System Information:
Debian Release: squeeze/sid
Architecture: i386 (i686)
Locale: LANG=de_DE.UTF-8, LC_CTYPE=de_DE.UTF-8 (charmap=UTF-8)
Versions of packages kalzium depends on:
ii kalzium-data 4:4.3.0-2 data files for Kalzium
ii kdebase-runtime 4:4.3.0-2 runtime components from the offici
ii kdelibs5 4:4.3.0-1 core libraries for all KDE 4 appli
ii libc6 2.9-23 GNU C Library: Shared libraries
ii libgcc1 1:4.4.1-1 GCC support library
ii libgl1-mesa-glx [libgl1] 7.5-3 A free implementation of the OpenG
ii libglu1-mesa [libglu1] 7.5-3 The OpenGL utility library (GLU)
ii libkdeedu4 4:4.3.0-2 libraries for KDE 4 educational ap
ii libopenbabel3 2.2.3-1 Chemical toolbox library
ii libplasma3 4:4.3.0-1 library for the KDE 4 Plasma deskt
ii libqt4-opengl 4:4.5.2-1 Qt 4 OpenGL module
ii libqt4-svg 4:4.5.2-1 Qt 4 SVG module
ii libqt4-xml 4:4.5.2-1 Qt 4 XML module
ii libqtcore4 4:4.5.2-1 Qt 4 core module
ii libqtgui4 4:4.5.2-1 Qt 4 GUI module
ii libstdc++6 4.4.1-1 The GNU Standard C++ Library v3
diff -uprN a/kalzium/src/kalziumutils.cpp b/kalzium/src/kalziumutils.cpp
--- a/kalzium/src/kalziumutils.cpp 2009-01-06 18:23:42.000000000 +0100
+++ b/kalzium/src/kalziumutils.cpp 2009-08-08 10:57:32.000000000 +0200
@@ -144,12 +144,12 @@ QString KalziumUtils::prettyUnit( const
{
case 0:
{
+ val *= 96.4853;
result = i18nc( "kilo joule per mol", "%1 kJ/mol", val );
break;
}
case 1: // use electronvolt
{
- val /= 96.6;
result = i18nc( "electron volt", "%1 eV", val );
break;
}
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