home
about
news
download
doc
source
systems
tests
bugs
contact
IMP Reference Guide
2.22.0
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
spb
version 2.22.0
DistanceTerminiRestraint.h
Go to the documentation of this file.
1
/**
2
* \file IMP/spb/DistanceTerminiRestraint.h
3
* \brief A distance restraint between protein termini.
4
*
5
* Copyright 2007-2022 IMP Inventors. All rights reserved.
6
*/
7
8
#ifndef IMPSPB_DISTANCE_TERMINI_RESTRAINT_H
9
#define IMPSPB_DISTANCE_TERMINI_RESTRAINT_H
10
11
#include <
IMP/Restraint.h
>
12
#include <
IMP/isd/Scale.h
>
13
#include <IMP/spb/spb_config.h>
14
15
IMPSPB_BEGIN_NAMESPACE
16
17
//! A distance restraint between protein termini.
18
/** The distance between the termini is a sampled ISD particle.
19
*/
20
class
IMPSPBEXPORT
DistanceTerminiRestraint
:
public
IMP::Restraint
{
21
IMP::Pointer<IMP::Particle>
nterm_;
22
IMP::Pointer<IMP::Particle>
cterm_;
23
double
sigma0_dist_;
24
IMP::Pointer<IMP::Particle>
reqd_dist_term_;
25
26
public
:
27
//! Restrains the distance between the termini of a protein.
28
/** The distance between termini is a sampled parameter that changes
29
from step to step.
30
*/
31
32
DistanceTerminiRestraint
(
IMP::Particle
* nterm,
IMP::Particle
* cterm,
33
IMP::Particle
* reqd_dist_term,
double
sigma0_dist);
34
35
// get the distance between termini in current model
36
double
get_model_termini_distance()
const
;
37
38
/** This macro declares the basic needed methods: evaluate and show
39
*/
40
virtual
double
unprotected_evaluate
(
IMP::DerivativeAccumulator
* accum)
const
41
override
;
42
virtual
IMP::ModelObjectsTemp
do_get_inputs
()
const override
;
43
IMP_OBJECT_METHODS
(
DistanceTerminiRestraint
);
44
45
private
:
46
};
47
48
IMPSPB_END_NAMESPACE
49
50
#endif
/* IMPSPB_DISTANCE_TERMINI_RESTRAINT_H */
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::Restraint::unprotected_evaluate
virtual double unprotected_evaluate(DerivativeAccumulator *da) const
Return the unweighted score for the restraint.
Scale.h
A decorator for scale parameters particles.
IMP::Vector
A more IMP-like version of the std::vector.
Definition:
Vector.h:50
IMP::Pointer< IMP::Particle >
IMP::Particle
Class to handle individual particles of a Model object.
Definition:
Particle.h:43
Restraint.h
Abstract base class for all restraints.
IMP::spb::DistanceTerminiRestraint
A distance restraint between protein termini.
Definition:
DistanceTerminiRestraint.h:20
IMP::ModelObject::do_get_inputs
virtual ModelObjectsTemp do_get_inputs() const =0
IMP::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition:
DerivativeAccumulator.h:24
IMP::Restraint
A restraint is a term in an IMP ScoringFunction.
Definition:
Restraint.h:56