home
about
news
download
doc
source
systems
tests
bugs
contact
IMP Reference Guide
develop.4390929e3e,2024/11/11
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
spb
version 20241111.develop.4390929e3e
UniformBoundedRestraint.h
Go to the documentation of this file.
1
/**
2
* \file IMP/spb/UniformBoundedRestraint.h
3
* \brief A uniform bounded restraint
4
*
5
* Copyright 2007-2022 IMP Inventors. All rights reserved.
6
*
7
*/
8
9
#ifndef IMPSPB_UNIFORM_BOUNDED_RESTRAINT_H
10
#define IMPSPB_UNIFORM_BOUNDED_RESTRAINT_H
11
#include <
IMP/Pointer.h
>
12
#include <
IMP/isd/Scale.h
>
13
#include <
IMP/spb/ISDRestraint.h
>
14
#include "
IMP/Restraint.h
"
15
#include <IMP/spb/spb_config.h>
16
17
IMPSPB_BEGIN_NAMESPACE
18
/** A uniform bounded restraint
19
20
The source code is as follows:
21
\include UniformBoundedRestraint.h
22
\include UniformBoundedRestraint.cpp
23
*/
24
25
class
IMPSPBEXPORT
UniformBoundedRestraint
26
:
public
spb::ISDRestraint
{
27
IMP::PointerMember<Particle>
p_;
28
FloatKey
fk_;
29
IMP::PointerMember<Particle>
a_;
30
IMP::PointerMember<Particle>
b_;
31
32
public
:
33
//! Create the restraint.
34
UniformBoundedRestraint
(
Particle
*p,
FloatKey
fk,
Particle
*a,
Particle
*b);
35
36
/* call for probability */
37
double
get_probability()
const override
;
38
39
/** This macro declares the basic needed methods: evaluate and show
40
*/
41
// IMP_RESTRAINT( UniformBoundedRestraint);
42
//
43
virtual
double
unprotected_evaluate
(
IMP::DerivativeAccumulator
*accum)
const
44
override
;
45
IMP::ModelObjectsTemp
do_get_inputs
()
const override
;
46
47
IMP_OBJECT_METHODS
(
UniformBoundedRestraint
);
48
};
49
50
IMPSPB_END_NAMESPACE
51
52
#endif
/* IMPSPB_UNIFORM_BOUNDED_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::spb::UniformBoundedRestraint
Definition:
UniformBoundedRestraint.h:25
IMP::PointerMember
A smart pointer to a ref-counted Object that is a class member.
Definition:
Pointer.h:143
IMP::Key< 0 >
ISDRestraint.h
A lognormal restraint that uses the ISPA model to model NOE-derived distance fit. ...
Pointer.h
A nullptr-initialized pointer to an IMP Object.
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::ISDRestraint
Apply an NOE distance restraint between two particles.
Definition:
spb/ISDRestraint.h:30
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