Jmol.___JmolVersion="14.3.15_2015.06.18" bug fix: msCIF reader can hang if occupancy is not fractional
I will get a version out later today On Wed, Jun 17, 2015 at 5:28 AM, <si...@publcif.co.uk> wrote: > > Thanks Bob - the hanging issue is certainly fixed. > > I'm still seeing render errorjava.lang.NullPointerException for > two out of my collection of 60+ msCIFs > The other one is > > http://scripts.iucr.org/cgi-bin/sendcif?ck5035 > > NB. it renders OK if I load with FILTER "MODAVERAGE" > so I can at least work round this > > Cheers > > Simon > > > > > Quoting Robert Hanson <hans...@stolaf.edu>: > > > I don't know for sure what your problem is with dk5003, Simon. That is > > working for me in this latest release at chemapps. But I did find the > > mistake in Jmol that causes xk5017 to stop. It's in an infinite loop. > > > > http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.15_2015.06.16.zip > > > > Jmol.___JmolVersion="14.3.15_2015.06.16" > > bug fix: msCIF reader failing for Legendre polynomials of order greater > > than 4 > > -- JavaScript fix for new double[m + 1][] > > -- must use AU.newDouble2(m + 1); > > > > > > > > > > > > On Mon, Jun 15, 2015 at 4:19 AM, <si...@publcif.co.uk> wrote: > > > >> > >> I'm afraid I'm still seeing the same problems with: > >> > >> http://scripts.iucr.org/cgi-bin/sendcif?xk5017 (hanging in JSmol but > >> not in Java application) > >> > >> http://scripts.iucr.org/cgi-bin/sendcif?dk5003 (model not rendering) > >> > >> MB in the second example, if I remove the other models leaving just the > >> superspace model, I still get nothing. > >> Java console gives: ...render errorjava.lang.NullPointerException > >> > >> Cheers > >> > >> Simon > >> > >> > >> > >> > >> Quoting Robert Hanson <hans...@stolaf.edu>: > >> > >> > I checked with Vaclav, and he agrees that the file is invalid. > >> > > >> > Problem #2 is with > >> > > >> > loop_ > >> > _jana_atom_site_displace_Legendre_atom_site_label > >> > _jana_atom_site_displace_Legendre_axis > >> > _jana_atom_site_displace_Legendre_param_order > >> > _jana_atom_site_displace_Legendre_param_coeff > >> > > >> > > >> > that was a bug > >> > > >> > #3 crashed Jmol in the situation where only one of two models in a CIF > >> file > >> > had displacive modulation, and Jmol was failing on that. > >> > > >> > see http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.15_2015.06.14.zip > >> > > >> > > >> > > >> > Jmol.___JmolVersion="14.3.15_2015.06.12b" > >> > > >> > bug fix: msCIF reading with two models, and only one has displacement > >> > modulation causes "render error" crash > >> > bug fix: msCIF reader failing for Legendre polynomials of order > greater > >> > than 4 > >> > > >> > > >> > ?See http://chemapps.stolaf.edu/jmol/zip/ > >> > > >> > >> > >> > >> > >> > ------------------------------------------------------------------------------ > >> _______________________________________________ > >> Jmol-users mailing list > >> Jmol-users@lists.sourceforge.net > >> https://lists.sourceforge.net/lists/listinfo/jmol-users > >> > > > > > > > > -- > > Robert M. Hanson > > Larson-Anderson Professor of Chemistry > > Chair, Department of Chemistry > > St. Olaf College > > Northfield, MN > > http://www.stolaf.edu/people/hansonr > > > > > > If nature does not answer first what we want, > > it is better to take what answer we get. > > > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > > > > ------------------------------------------------------------------------------ > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Larson-Anderson Professor of Chemistry Chair, Department of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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