You are right, it does seem to assume that the rigid body and hierarchy particles are the same. Not a good assumption in general. I think it is quite easily fixed (by having the constructor get the rigid body from the passed particle). However, there don't seem to be any testing of rigid bodies in saxs, so it is hard to be sure of the patch. Dina?
Patch to saxs::Restraint::Restraint
add:
else if (core::RigidMember::particle_is_instance(particles[i])) {
rigid_bodies_decorators_.push_back(core::RigidMember(particles[i]).get_rigid_body());
rigid_bodies_.push_back(ref->get_refined(particles[i]));
// compute non-changing profile
Profile rigid_part_profile;
rigid_part_profile.calculate_profile(rigid_bodies_.back(), ff_type);
rigid_bodies_profile_.add(rigid_part_profile);
}
On May 11, 2011, at 10:33 AM, Yannick Spill wrote:
> On 05/11/2011 01:32 PM, Daniel Russel wrote:
>> There is some bug but with setup_as_rigid_body which makes is not work correctly with Selections (the selection will only choose the root particle under certain circumstances when it should choose the leaves as some of the internal particles are given a radius of 0). Since the method is not documented or supported and has other areas where it doesn't work right, I'm not terribly motivated to fix it and would rather simply remove it. Thoughts?
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> would this still be compatible with the saxs module, which uses rigid
> bodies?
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