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IMP Reference Guide  develop.879b8d2544,2020/09/29
The Integrative Modeling Platform
parallel/tasks.py

This module contains the setup and task functions used by local_distance.py.

1 ## \example parallel/tasks.py
2 # This module contains the setup and task functions used by local_distance.py.
3 #
4 
5 import IMP
6 import IMP.algebra
7 import IMP.core
8 
9 
10 def setup():
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."""
14  m = IMP.Model()
15  p1 = IMP.Particle(m)
17  p2 = IMP.Particle(m)
19  d1.set_coordinates(IMP.algebra.Vector3D(0, 0, 0))
20  r = IMP.core.DistanceRestraint(m, IMP.core.Harmonic(0, 1), p1, p2)
22  return m, sf, d2
23 
24 # Note that setup and tasks are Python callables, i.e. functions (like setup
25 # above) or classes that implement the __call__ method (like Task below).
26 # The latter allows for parameters (Python objects) to be passed from the
27 # manager to the workers.
28 
29 
30 class Task(object):
31 
32  def __init__(self, dist):
33  self.dist = dist
34 
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."""
40  d.set_coordinates(IMP.algebra.Vector3D(0, 0, self.dist))
41  return (self.dist, sf.evaluate(False))