Re: [IMP-dev] Recovering of restraints from a model

[Ben Webb <>]

On 4/27/11 6:31 PM, Javier Velazquez wrote:
> Recovering restraints (after optimization)  from a model in python has
> an unexpected behaviour. This code fails:
>
> for i in range(model.get_number_of_restraints()):
>           r = model.get_restraint(i)
>           print "checking restraint ...",r.get_name()
>           pairs = r.get_connected_pairs()

Actually, that is expected behavior, in both Python and C++. Model 
contains a list of Restraints, not ConnectivityRestraints or any other type.

> Is there another way to access the restraints when the optimization has
> finished?

Any class that derives from IMP::Object has a 'get_from' class method. 
This will cast a given object to that type, if possible - otherwise 
it'll raise a ValueException. (The C++ equivalent is dynamic_cast.)

e.g.

for i in range(model.get_number_of_restraints()):
          r = model.get_restraint(i)
          print "checking restraint ...",r.get_name()
          cr = IMP.core.ConnectivityRestraint.get_from(r)
          pairs = cr.get_connected_pairs()

	Ben
--
                      http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle