Hi! 04.11.09, 08:33, "David C. Lonie" <[email protected]>:
> > Another ways are to transofm it into fractional > > coordinate editor for xstallography, as it was requested recently, > I requested this, and planned to add it myself at some point, but I > probably wouldn't get to it for a while. So, if you'd like to put it > in, be my guest :-) If you are going to, I just wanted make you aware > of OpenBabel::OBUnitCell::GetFractionalMatrix() > http://openbabel.org/api/2.2.0/classOpenBabel_1_1OBUnitCell.shtml#2ac2c43b65936f802681d33aff49bc25 > which makes the whole operation much easier. Will it be OK to change old cartesian editor to show fractional coordinates? > I believe Marcus is refering to how the code is indented, not the > output in the widget. We use the KDE conventions for code style: > http://techbase.kde.org/Policies/Kdelibs_Coding_Style I've used style from propextension.cpp. If it's incorrect, it should be changed too 04.11.09, 08:48, "Marcus D. Hanwell" <[email protected]>: > I think it is a great addition, there are a few rough edges but they can > be worked out in master. My time has been very limited these last few > weeks as I began a new job in a new area on 1 October, and to add to > that have a new family (five month old baby). > We also just had our first stable release, and I think everyone is > getting used to that. I think that this editor belongs in master, and we > can work on any remaining issues there. I think we should be very > careful with the 1.0 branch, and most developers should not be too > concerned with it unless there are bugs that need fixing. It would be nice if new cartesian editor was backported into stable branch after proper testing. It really improves usefullness of Avogadro for computational chemistry -- Regards, Konstantin ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
