home
about
news
download
doc
source
systems
tests
bugs
contact
IMP Reference Guide
2.23.0
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
spb
version 2.23.0
spb_sampler.h
Go to the documentation of this file.
1
/**
2
* \file IMP/spb/spb_sampler.h
3
* \brief SPB Sampler
4
*
5
* Copyright 2007-2022 IMP Inventors. All rights reserved.
6
*
7
*/
8
9
#ifndef IMPSPB_SPB_SAMPLER_H
10
#define IMPSPB_SPB_SAMPLER_H
11
12
#include <
IMP/Pointer.h
>
13
#include <
IMP/Particle.h
>
14
#include <
IMP/core/MonteCarlo.h
>
15
#include <
IMP/spb/spb_main.h
>
16
#include <IMP/spb/spb_config.h>
17
18
IMPSPB_BEGIN_NAMESPACE
19
20
IMPSPBEXPORT
IMP::Pointer<core::MonteCarlo>
setup_SPBMonteCarlo(
21
Model *m,
core::MonteCarloMovers
&mvs,
double
temp,
22
spb::SPBParameters myparam);
23
24
IMPSPBEXPORT
void
add_BallMover(Particles ps,
double
dx,
25
core::MonteCarloMovers
&mvs);
26
27
IMPSPBEXPORT
void
add_PbcBoxedMover(Particles ps,
double
dx,
28
algebra::Vector3Ds
centers,
29
algebra::Transformation3Ds
trs,
30
core::MonteCarloMovers
&mvs,
31
Particle *SideXY, Particle *SideZ);
32
33
IMPSPBEXPORT
void
add_PbcBoxedRigidBodyMover(
34
Particles ps,
double
dx,
double
dang,
algebra::Vector3Ds
centers,
35
algebra::Transformation3Ds
trs,
core::MonteCarloMovers
&mvs,
36
Particle *SideXY, Particle *SideZ);
37
38
IMPSPBEXPORT
void
add_NuisanceMover(Particle *p,
double
dp,
39
core::MonteCarloMovers
&mvs);
40
41
IMPSPB_END_NAMESPACE
42
43
#endif
/* IMPSPB_SPB_SAMPLER_H */
IMP::core::MonteCarloMovers
IMP::Vector< IMP::Pointer< MonteCarloMover > > MonteCarloMovers
Definition:
MonteCarloMover.h:119
IMP::algebra::Vector3Ds
Vector< VectorD< 3 > > Vector3Ds
Definition:
VectorD.h:410
MonteCarlo.h
Simple Monte Carlo optimizer.
IMP::Pointer
A smart pointer to a reference counted object.
Definition:
Pointer.h:87
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
Pointer.h
A nullptr-initialized pointer to an IMP Object.
IMP::algebra::Transformation3Ds
IMP::Vector< Transformation3D > Transformation3Ds
Definition:
Transformation3D.h:130
spb_main.h
SPB MonteCarlo.