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

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