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Re: [IMP-users] ExcludedVolumeRestraint : meaning of the score



Thank you for the confirmation Daniel


BTW, lists of decorators and particles are automatically inter-converted, so you can just to
IMP.container.ListSingletonContainer(rigidChains.values())

Are you sure this works with Version 1.0 ?  I tried it, but it would not run, neither than replacing
 lsc.add_particle(rb.get_particle())
by 
 lsc.add_particle(rb)

both result in the following error message :

Traceback (most recent call last):
  File "/Users/schwarz/Dev/IMPstuff/src/tests/fit_with_restraints_test/fitWithRestraints.py", line 117, in <module>
    lsc = IMP.container.ListSingletonContainer(rigidChains.values())
  File "/usr/local/lib/python2.6/site-packages/IMP/container/__init__.py", line 425, in __init__
    this = _IMP_container.new_ListSingletonContainer(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'new_ListSingletonContainer'.
  Possible C/C++ prototypes are:
    IMP::container::ListSingletonContainer(IMP::Particles const &,std::string)
    IMP::container::ListSingletonContainer(IMP::Particles const &)
    IMP::container::ListSingletonContainer(std::string)
    IMP::container::ListSingletonContainer()
    IMP::container::ListSingletonContainer(char const *)

In fact, I intuitively expected the behavior you describe since in the few implementations of the Decorator design pattern I have seen to this date, the Decorator always inherited from the "decorated". According to the doc, in IMP this seems not to be the case : unless I missed the point; a XYZ or a RigidBody is not a Particle.

    --Ben