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; }