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2.1.1
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restrainer/simple_distance.py
This example shows how to create simple
IMP::core::DistanceRestraint
.
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## \example restrainer/simple_distance.py
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# This example shows how to create simple IMP::core::DistanceRestraint.
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#
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# -- File: simple_distance.py --#
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import
IMP
8
import
IMP.core
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import
IMP.restrainer
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imp_model =
IMP.kernel.Model
()
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# Create particle point 1
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p1 =
IMP.kernel.Particle
(imp_model)
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p1.add_attribute(
IMP.FloatKey
(
"x"
), 0,
True
)
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p1.add_attribute(
IMP.FloatKey
(
"y"
), 0,
True
)
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p1.add_attribute(
IMP.FloatKey
(
"z"
), 0,
True
)
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p1.add_attribute(
IMP.FloatKey
(
"radius"
), 1.0,
False
)
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# Create particle point 2
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p2 =
IMP.kernel.Particle
(imp_model)
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p2.add_attribute(
IMP.FloatKey
(
"x"
), 100,
True
)
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p2.add_attribute(
IMP.FloatKey
(
"y"
), 100,
True
)
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p2.add_attribute(
IMP.FloatKey
(
"z"
), 100,
True
)
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p2.add_attribute(
IMP.FloatKey
(
"radius"
), 1.0,
False
)
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particles = []
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particles.append(p1)
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particles.append(p2)
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sd =
IMP.restrainer.create_simple_distance
(particles)
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r = sd.get_restraint()
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h = sd.get_harmonic_upper_bound()
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sd.set_mean(10.0)
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sd.set_standard_deviation(3.5)
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sd.set_k(0.1)
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imp_model.add_restraint(r)
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r.show()
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imp_model.evaluate(
False
)
