Mol->clearComputedProps() will remove some of this but not all. Looking like others need to be filtered manually.
Regards, Evgueni 2008/8/11 Greg Landrum <greg.land...@gmail.com> > On Mon, Aug 11, 2008 at 2:24 PM, Evgueni Kolossov <ekolos...@gmail.com> > wrote: > > Hi Greg, > > > > ROMol::getPropList() will return not only properties from the SDFile but > > also some "default" properties. > > Is there way(param) to get only properties loaded from the file? > > There's no simple solution at the moment, but there should be. I'll > add a feature request and get it in the next version. > > In the meantime you can use the code in the function MolGetPropNames > in $RDBASE/Code/GraphMol/Wrap/Mol.cpp as an example of how to > work-around the shortcoming. > > -greg > -- Dr. Evgueni Kolossov (PhD) ekolos...@gmail.com Tel. +44(0)1628 627168 Mob. +44(0)7812070446
