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IMP Reference Guide
2.20.2
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
pmi
version 2.20.2
MembraneRestraint.h
Go to the documentation of this file.
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/**
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* \file IMP/pmi/MembraneRestraint.h
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* \brief Favor configurations where target is in the membrane.
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*
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* Copyright 2007-2022 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPPMI_MEMBRANE_RESTRAINT_H
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#define IMPPMI_MEMBRANE_RESTRAINT_H
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#include <IMP/pmi/pmi_config.h>
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#include <
IMP/isd/ISDRestraint.h
>
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#include <
IMP/Particle.h
>
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IMPPMI_BEGIN_NAMESPACE
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//! Membrane Restraint
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/** Favors configurations where target is in the membrane.
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This is the C++ implementation; for most modeling the Python wrapper
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is more useful - see IMP.pmi.restraints.basic.MembraneRestraint.
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*/
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class
IMPPMIEXPORT
MembraneRestraint
:
public
isd::ISDRestraint
{
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ParticleIndex
z_nuisance_;
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double
thickness_;
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double
softness_;
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double
plateau_;
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double
linear_;
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double
max_float_;
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double
log_max_float_;
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ParticleIndexes
particles_below_;
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ParticleIndexes
particles_above_;
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ParticleIndexes
particles_inside_;
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public
:
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MembraneRestraint
(
Model
*m,
ParticleIndex
z_nuisance,
double
thickness,
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double
softness,
double
plateau,
double
linear);
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void
add_particles_below(
ParticleIndexes
const
&particles);
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void
add_particles_above(
ParticleIndexes
const
&particles);
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void
add_particles_inside(
ParticleIndexes
const
&particles);
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double
get_score
(
double
prob)
const
;
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double
get_probability_above(
double
z,
double
z_slope_center_upper)
const
;
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double
get_score_above(
double
z,
double
z_slope_center_upper)
const
;
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double
get_probability_below(
double
z,
double
z_slope_center_lower)
const
;
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double
get_score_below(
double
z,
double
z_slope_center_lower)
const
;
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double
get_score_inside(
double
z,
double
z_slope_center_lower,
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double
z_slope_center_upper)
const
;
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virtual
double
unprotected_evaluate
(
DerivativeAccumulator
*)
const
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override
;
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virtual
IMP::ModelObjectsTemp
do_get_inputs
()
const override
;
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IMP_OBJECT_METHODS
(
MembraneRestraint
);
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};
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IMPPMI_END_NAMESPACE
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#endif
/* IMPPMI_MEMBRANE_RESTRAINT_H */
IMP::isd::ISDRestraint
A base class for ISD Restraints.
Definition:
isd/ISDRestraint.h:19
ISDRestraint.h
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::Index< ParticleIndexTag >
IMP::Vector< ParticleIndex >
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
Model.h:86
IMP::isd::ISDRestraint::do_get_inputs
virtual ModelObjectsTemp do_get_inputs() const override
IMP::pmi::MembraneRestraint
Membrane Restraint.
Definition:
MembraneRestraint.h:23
IMP::isd::ISDRestraint::unprotected_evaluate
virtual double unprotected_evaluate(DerivativeAccumulator *accum) const override
Return the unweighted score for the restraint.
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
IMP::Restraint::get_score
double get_score() const
IMP::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition:
DerivativeAccumulator.h:24