hello,
Currently, there is no way to set the weight of a single restraint (only for RestraintSet).
Is there any objection to add get/set weight for the Restraint class ?
thanks, Keren.
Keren Lasker wrote: > Currently, there is no way to set the weight of a single restraint (only > for RestraintSet). > > Is there any objection to add get/set weight for the Restraint class ?
Why don't you just put the Restraint you want to weight into a RestraintSet? In most cases Restraints are not weighted, and when we do weight them we generally weight groups, so RestraintSet seems the best place to put a weight, not the Restraint base class.
Ben
The original reason for not having weights in restraints is that it doesn't add any power and the is no global way of making sure restraint implementirs remember to implement it (and since weights are generally 1, it won't get noticed when it us nit done properly).
On Sunday, September 20, 2009, Ben Webb ben@salilab.org wrote: > Keren Lasker wrote: > > Currently, there is no way to set the weight of a single restraint (only for RestraintSet). > > Is there any objection to add get/set weight for the Restraint class ? > > > Why don't you just put the Restraint you want to weight into a RestraintSet? In most cases Restraints are not weighted, and when we do weight them we generally weight groups, so RestraintSet seems the best place to put a weight, not the Restraint base class. > > Ben > -- > ben@salilab.org http://salilab.org/~ben/ > "It is a capital mistake to theorize before one has data." > - Sir Arthur Conan Doyle > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev >
I know that I can do that ....- and this is the solution I used so far Still, it seems to me that many times normalization is needed for specific restraints. But it might be that this is true for my applications and not general - so for now I will keep wrapping specific restraints with restraint sets.
On Sep 20, 2009, at 4:37 AM, Ben Webb wrote:
> Keren Lasker wrote: >> Currently, there is no way to set the weight of a single restraint >> (only for RestraintSet). >> Is there any objection to add get/set weight for the Restraint >> class ? > > Why don't you just put the Restraint you want to weight into a > RestraintSet? In most cases Restraints are not weighted, and when we > do weight them we generally weight groups, so RestraintSet seems the > best place to put a weight, not the Restraint base class. > > Ben > -- > ben@salilab.org http://salilab.org/~ben/ > "It is a capital mistake to theorize before one has data." > - Sir Arthur Conan Doyle > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev
I'll be checking in a patch which wraps Restraint:evaluate soon. This would allow us to provide reliable restraint specific weighting if there is sufficient demand (since the weighting could be done in the wrapper).
On Sep 21, 2009, at 1:03 AM, Keren Lasker kerenl@salilab.org wrote:
> I know that I can do that ....- and this is the solution I used so far > Still, it seems to me that many times normalization is needed for > specific restraints. > But it might be that this is true for my applications and not > general - so for now I will keep wrapping specific restraints with > restraint sets. > > On Sep 20, 2009, at 4:37 AM, Ben Webb wrote: > >> Keren Lasker wrote: >>> Currently, there is no way to set the weight of a single restraint >>> (only for RestraintSet). >>> Is there any objection to add get/set weight for the Restraint >>> class ? >> >> Why don't you just put the Restraint you want to weight into a >> RestraintSet? In most cases Restraints are not weighted, and when >> we do weight them we generally weight groups, so RestraintSet seems >> the best place to put a weight, not the Restraint base class. >> >> Ben >> -- >> ben@salilab.org http://salilab.org/~ben/ >> "It is a capital mistake to theorize before one has data." >> - Sir Arthur Conan Doyle >> _______________________________________________ >> IMP-dev mailing list >> IMP-dev@salilab.org >> https://salilab.org/mailman/listinfo/imp-dev > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev
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Ben Webb -
Daniel Russel -
Keren Lasker