|
From: Chris M. <c.m...@ga...> - 2007-03-01 19:42:35
|
OBForceField::DistanceGeometry() is still (illegally) setting arrays with non-constant dimensions, which won't compile for me (Visual C++8). It is the #define isnan code in forcefied.h that prevents compilation for some reason, and needs to be deleted. It looks like the compiler you are using is a bit too forgiving. (Mine, also - last week it didn't catch #elif instead of #else.) Chris Tim Vandermeersch wrote: > Other people were having the same problem. The latest focefield.cpp > (just commited to SVN) uses OBIsNan(). This is defined in the file > itself. (could be moved to include/openbabel/math/?? to be used by > other files) > > Tim > > On 28 Feb 2007 17:13:02 +0000, N.W. England <nw...@ca...> wrote: >> I was trying to compile the latest svn version(revision 1807) of openbabel >> under SUSE with gcc (version 3.3.5 20050117 (prerelease) (SUSE Linux)) and >> it was still failing due to forcefield.cpp line 153 complaining about >> invalid type of 'isnan'(and many other lines) I found this odd as the macro >> on that line doesn't seem to expand into anything with an isnan in it. >> >> After installing the latest version of gcc(version 4.1.1) it compiles >> perfectly and passes all unit tests. (after installing libxml-devel) >> >> I still have the old version of gcc if further testing is needed. >> >> - Nick >> >> On Feb 20 2007, Geoffrey Hutchison wrote: >> >>> On Feb 20, 2007, at 12:46 PM, Tim Vandermeersch wrote: >>> >>>> Line 401 was taken from the documentation api so I expected it to >>>> work. But std::vector may indeed be more portable... >>> Ah, but that was documentation I wrote using GCC. I'll go fix that. >>> >>> Cheers, >>> -Geoff > |