def test_min_score(self):
"""Test the MinimumPairScore"""
m= IMP.Model()
s= []
for i in range(0,5):
s.append(IMP._ConstPairScore(i))
ps= IMP.container.MinimumPairScore(s, 3)
p= self.create_particle_pair(m)
ps.set_was_used(True)
v= ps.evaluate(p, None)
self.assertEqual(v, 3)
def test_evaluate(self):
"""Check TypedPairScore::evaluate()"""
ps = IMP.core.TypedPairScore(typekey)
cps = IMP._ConstPairScore(5)
ps.set_pair_score(cps, 0, 1)
# Keep Python reference to the model so that the particles
# aren't destroyed
m = IMP.Model()
pa, pb = self._make_particles(m, (0, 1))
da = IMP.DerivativeAccumulator()
# The ordering of the particles should not matter:
pab=(pa, pb)
pba=(pb, pa)
self.assertEqual(ps.evaluate(pab, da), 5.0)
self.assertEqual(ps.evaluate(pba, da), 5.0)
def test_evaluate(self):
"""Check TypedPairScore::evaluate()"""
ps = IMP.core.TypedPairScore(typekey)
cps = IMP._ConstPairScore(5)
ps.set_pair_score(cps, 0, 1)
# Keep Python reference to the model so that the particles
# aren't destroyed
m = IMP.Model()
pa, pb = self._make_particles(m, (0, 1))
da = IMP.DerivativeAccumulator()
# The ordering of the particles should not matter:
pab = (pa, pb)
pba = (pb, pa)
self.assertEqual(ps.evaluate_index(m, pab, da), 5.0)
self.assertEqual(ps.evaluate_index(m, pba, da), 5.0)
def test_restraint(self):
"""Simple test of the PairsRestraint"""
m = IMP.Model()
cps = IMP._ConstPairScore(1)
ps = [m.add_particle("P%d" % i) for i in range(0, 10)]
psc = IMP.container.ListSingletonContainer(m, ps)
apc = IMP.container.AllPairContainer(psc)
r = IMP.container.PairsRestraint(cps, apc)
self.assertEqual(r.evaluate(False), len(apc.get_indexes()))
lpc = IMP.container.ListPairContainer(m, apc.get_indexes())
r2 = IMP.container.PairsRestraint(cps, lpc)
self.assertEqual(r2.evaluate(False), len(apc.get_indexes()))
self.assertEqual(r2.evaluate(False), len(apc.get_indexes()))
sf = IMP.core.RestraintsScoringFunction([r2])
self.assertEqual(sf.evaluate(False), len(apc.get_indexes()))
self.assertEqual(sf.evaluate(False), len(apc.get_indexes()))
def test_restraint(self):
"""Simple test of the PairsRestraint"""
m = IMP.Model()
cps = IMP._ConstPairScore(1)
ps = [m.add_particle("P%d" % i) for i in range(0, 10)]
psc = IMP.container.ListSingletonContainer(m, ps)
apc = IMP.container.AllPairContainer(psc)
r = IMP.container.PairsRestraint(cps, apc)
self.assertEqual(r.evaluate(False), len(apc.get_indexes()))
lpc = IMP.container.ListPairContainer(m, apc.get_indexes())
r2 = IMP.container.PairsRestraint(cps, lpc)
self.assertEqual(r2.evaluate(False), len(apc.get_indexes()))
self.assertEqual(r2.evaluate(False), len(apc.get_indexes()))
sf = IMP.core.RestraintsScoringFunction([r2])
self.assertEqual(sf.evaluate(False), len(apc.get_indexes()))
self.assertEqual(sf.evaluate(False), len(apc.get_indexes()))
def test_rops(self):
"""Checking refine pairs pair score"""
IMP.set_log_level(IMP.VERBOSE)
m = IMP.Model()
pp = m.add_particle("p")
hpp = IMP.core.Hierarchy.setup_particle(m, pp)
c = []
for i in range(0, 10):
p = IMP.Particle(m)
hp = IMP.core.Hierarchy.setup_particle(p)
hpp.add_child(hp)
c.append(p)
pr = IMP.core.ChildrenRefiner(IMP.core.Hierarchy.get_default_traits())
cps = IMP._ConstPairScore(1)
rps = IMP.core.RefinedPairsPairScore(pr, cps)
ppp = (pp, pp)
print(type(rps))
print(type(rps.evaluate_index))
da = IMP.DerivativeAccumulator()
print(type(pp))
print(type(ppp))
self.assertEqual(rps.evaluate_index(m, ppp, da), 100)
