This module contains the setup and task functions used by local_distance.py.
11 """Create a Model containing two XYZ particles linked by a harmonic
12 distance restraint, one fixed at the origin. Return the Model,
13 the ScoringFunction, and the free XYZ particle."""
32 def __init__(self, dist):
35 def __call__(self, m, sf, d):
36 """Place the free XYZ particle at the specified distance from the
37 origin. Return the distance and the model's score. Note that the
38 input parameters to this method (m, sf, and d) are those returned by
39 the setup function above."""
41 return (self.dist, sf.evaluate(
False))