Just a hint: one common problem with the forcefield code is that you forgot to check that Setup was successful (Setup can fail with crazy molecules that are not supported by a particular forcefield). This can result in any number of interesting segfaults if you call any other forcefield methods afterwards.
- Noel On 2 December 2013 09:18, Joos Kiener <joos.kie...@gmail.com> wrote: > It seems not possible to create a simple application were this issue happens. > As a context I'm reading in molecules, generating 3D coordinates and then > generate the Spectrophore. In a simple script-like snippet this works. > > In the complete application the results are written to an output file, there > are cli-options but fundamentally it does not do anything different and the > code for conformer searching is the same. But here it always fails with a > java error. And commenting > > conformerSearch.SetScore(score); > > reproducibly fixes the issue. > > I will investigate further to try to find a simple example to demonstrate > this. > > > > -- > View this message in context: > http://forums.openbabel.org/Java-API-setting-OBConformerScore-will-crash-application-tp4656958p4656960.html > Sent from the General discussion mailing list archive at Nabble.com. > > ------------------------------------------------------------------------------ > Rapidly troubleshoot problems before they affect your business. Most IT > organizations don't have a clear picture of how application performance > affects their revenue. With AppDynamics, you get 100% visibility into your > Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro! > http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Rapidly troubleshoot problems before they affect your business. Most IT organizations don't have a clear picture of how application performance affects their revenue. With AppDynamics, you get 100% visibility into your Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro! http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
