[IMP-users] restraint based on pre-calculated scores

[Jan Kosinski <>]

Hi,

I have a custom MonteCarlo mover that randomly samples positions of a 
rigid body from predefined list of transformations. Each transformation 
corresponds to some position, and for each position I have precalculated 
a score. Now I would like to have a restraint that scores the positions 
generated by the mover according to these precalculated scores. The 
restraint would have to find out which transformation was used for the 
move, get the index of the transformation in the list and then get the 
score. Would you have a suggestion how to implement this? I can store 
the current index in the mover object but then I don't know how to 
access the movers from the restraint object.

Thanks in advance,
Jan