## \example core/excluded_volume.py ## Setup an excluded volume restraint between a bunch of particles with radius. ## import IMP.example (m,c)=IMP.example.create_model_and_particles() # this container lists all pairs that are close at the time of evaluation nbl= IMP.container.ClosePairContainer(c, 0,2) h= IMP.core.HarmonicLowerBound(0,1) sd= IMP.core.SphereDistancePairScore(h) # use the lower bound on the inter-sphere distance to push the spheres apart nbr= IMP.container.PairsRestraint(sd, nbl) m.add_restraint(nbr) # alternatively, one could just do r = IMP.core.ExcludedVolumeRestraint(c) m.add_restraint(r) # get the current score print m.evaluate(False)