Le mardi 27 mars 2012 à 15:15 -0400, David Lonie a écrit : > Hi Jean, > > On Tue, Mar 27, 2012 at 2:58 PM, Jean Brefort > <jean.bref...@normalesup.org> wrote: > > Can someone test attached patch? It fixes the space groups list (adding > > variants for groups #1 and #2, accepts unknown groups, and understand > > the symmetry operations from the CIF file (they changed the field name). > > I can confirm that this will open the problematic cif file that > Fabienne submitted. I had to make a small change to get it to compile > (m_SpaceGroup --> mSpaceGroup in cifformat.cpp). > > Also, was this chunk intentional?
No, I should have run svn diff before starting. Thanks for the revue. > --- a/src/formats/cifformat.cpp > +++ b/src/formats/cifformat.cpp > @@ -270,6 +270,7 @@ namespace OpenBabel > void Parse(std::istream &in); > /// The data blocks, after parsing. The key is the name of the data block > std::map<std::string,CIFData> mvData; > + /// The current iterator r > /// Global comments, outside and data block > std::list<std::string> mvComment; > }; > > Other than those two questions it should be ready to submit -- thanks > for fixing this! > > Dave > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
