OK, clear, will do this way! Thanks, Jan
On 28 Oct 2015, at 19:58, Ben Webb ben@salilab.org wrote:
> On 10/27/15 12:33 PM, Jan Kosinski wrote: >> I have a custom MonteCarlo mover that randomly samples positions of a >> rigid body from predefined list of transformations. Each transformation >> corresponds to some position, and for each position I have precalculated >> a score. Now I would like to have a restraint that scores the positions >> generated by the mover according to these precalculated scores. The >> restraint would have to find out which transformation was used for the >> move, get the index of the transformation in the list and then get the >> score. Would you have a suggestion how to implement this? I can store >> the current index in the mover object but then I don't know how to >> access the movers from the restraint object. > > The simplest way to do it would be to have your custom restraint constructor take a pointer to your custom mover, and then store it in a PointerMember<CustomMover> member within CustomRestraint. > > See also the IMP::domino module which has lots of functionality for discrete sampling. > > Ben > -- > ben@salilab.org https://salilab.org/~ben/ > "It is a capital mistake to theorize before one has data." > - Sir Arthur Conan Doyle > _______________________________________________ > IMP-users mailing list > IMP-users@salilab.org > https://salilab.org/mailman/listinfo/imp-users