$ grep append `/usr/bin/find . | grep .cpp` .... ./src/transform.cpp: itr = pOptions->find("append"); //Appends values of desc riptors or properties to title ./src/transform.cpp:"--append <list> Append properties or descriptors in list to title:\n"
We're on github if you want to submit a patch for review. Better be quick though before Chris fixes it! :-) - Noel On 15 July 2013 22:27, Jeff Janes <jeff.ja...@gmail.com> wrote: > I have an sdf file which has a property that is sometimes multiple lines. > > When I try to output that property in the title, something very > strange happens. The title for the first molecule with a multi-lined > property gets memorized, and then that title gets output for all > subsequent molecules which also have a multi-lined property. > > I don't know what should happen with multiple line properties, but > surely it is not this. :) > > The attempted behavior of joining the lines with a space seems like a > reasonable behavior, but then it should do that for every molecule, > not replace the title of subsequent molecules with the title of the > first afflicted molecule. > > > I've constructed a sdf file, attached, to demonstrate this. > > obabel -isdf obabel_test.sdf -ocan --append ' foo1 foo2' > C 1 A > CC 2 B B > CCC 3 C > CCCC 2 B B > CCCCC 5 E > CCCCCC 6 F > > The title for butane should be "4 D D", not "2 B B" > > This is version 2.3.2. > > Any idea what is going on? If I want to dig into the source code > myself, where should I start? > > Cheers, > > Jeff > > ------------------------------------------------------------------------------ > See everything from the browser to the database with AppDynamics > Get end-to-end visibility with application monitoring from AppDynamics > Isolate bottlenecks and diagnose root cause in seconds. > Start your free trial of AppDynamics Pro today! > http://pubads.g.doubleclick.net/gampad/clk?id=48808831&iu=/4140/ostg.clktrk > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ See everything from the browser to the database with AppDynamics Get end-to-end visibility with application monitoring from AppDynamics Isolate bottlenecks and diagnose root cause in seconds. Start your free trial of AppDynamics Pro today! http://pubads.g.doubleclick.net/gampad/clk?id=48808831&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss