Hi
- Attached is a patch I needed in order to compile. If not applied I am
getting
Primatives.cpp: In member function ‘void Avogadro::Molecule::render()’:
Primatives.cpp:61: error: ‘vector’ was not declared in this scope
Primatives.cpp:61: error: expected primary-expression before ‘*’ token
Primatives.cpp:61: error: expected primary-expression before ‘>’ token
Primatives.cpp:61: error: ‘::iterator’ has not been declared
Primatives.cpp:61: error: expected `;’ before 'i’
Primatives.cpp:64: error: ‘i’ was not declared in this scope
is there some kind of std-include missing?
-
As it is a Qt4-application I think you should use QList and QVector
instead of the stl-stuff. They have many advantages, including
API-dox -
I subscribed to this mailinglist
-
Please remove all Makefile.am, config* files and so on. They keep me
reminded of the bad-old autohell days -
We could try to move to CMake 2.4.3. I don’t think it would be to
hard. I am of course willing to help here. I have already written the
CMake-code to find Openbabel 2.1 and OpenGL -
I am not sure if Capital letters in filenames are a good idea if we
are going to publish on windows… FAT32 is not case-senstitive and many
many apps don’t care about capital letters while others do. This can
create all kinds of funny errors… -
Please consider to take as much as possible from Benoits code. We
enable doxygen-generation, here are the two core classes:
If you ask me it would be totally stupid to develop Avogadro and
KalziumGLWidget. They have 99% the same purpose and therefore we have to
join forces! I will describe in short words what I want in Kalzium:
- A 3D-renderer for molecules (95% done)
- A 3D renderer for crystals (OpenBabel2 code missing (CIF,
translation…) - A teaching tool (I am a chemistry teacher). I want to be able to
points at three atoms and the app displays the angle between the three
atoms. Or the torsion of four atoms. - Plane-display. That mean: The plane through 3 (or more) atoms. Really
cool for molecules like the DNA (to show that there are many symmetries) - Autorotation
- Displaying the names of the atoms, or the numbers (id’s) inside the
widget
I guess that those things are also what you want?
How can we join forces? In case much of my and Benoits code moves into
Avogadro I have no problem with developing in Avogadro and copy code
before a KDE-release into Kalzium. Technically it would of course be
better to simply use a library or something like that, I don’t really
care. Long term, a lib is of course much better.
It would be a shame if you wouldn’t take Benoits and my code because it
took a lot of time to develop. But even that would be better than
developing two codebases, IMHO.
-
APIDOX. There is not exactly a lot of Apidocs in the code. It would
help me a lot if you would write short comments in the .h-file about
what classes and methods are supposed to do. -
Benoit is currently writing “Eigen”, a highly optimized LGPL-math lib
used in Kalzium for matrix-stuff and other things. I am sure avogadro
could make great use of it. The code is in the KDE-svn (in
trunk/kdesupport/eigen) -
http://sourceforge.net/mailarchive/message.php?msg_id=36484023
should go in some kind of TODO, I think. -
Many of my idea about the 3D-viewer are in this file, you might want
to read it:
http://websvn.kde.org/trunk/KDE/kdeedu/kalzium/ideas/TODO?rev=565050&view=markup
Carsten