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IMP Reference Guide  develop.97bab1d8fd,2021/09/21
The Integrative Modeling Platform
spb_sampler.h
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1 /**
2  * \file IMP/spb/spb_sampler.h
3  * \brief SPB Sampler
4  *
5  * Copyright 2007-2021 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPSPB_SPB_SAMPLER_H
10 #define IMPSPB_SPB_SAMPLER_H
11 #include <IMP.h>
12 #include <IMP/atom.h>
13 #include <IMP/core.h>
14 #include <IMP/spb/spb_config.h>
15 
16 IMPSPB_BEGIN_NAMESPACE
17 
18 IMPSPBEXPORT IMP::Pointer<core::MonteCarlo> setup_SPBMonteCarlo(
19  Model *m, core::MonteCarloMovers &mvs, double temp,
20  spb::SPBParameters myparam);
21 
22 IMPSPBEXPORT void add_BallMover(Particles ps, double dx,
24 
25 IMPSPBEXPORT void add_PbcBoxedMover(Particles ps, double dx,
26  algebra::Vector3Ds centers,
29  Particle *SideXY, Particle *SideZ);
30 
31 IMPSPBEXPORT void add_PbcBoxedRigidBodyMover(
32  Particles ps, double dx, double dang, algebra::Vector3Ds centers,
34  Particle *SideXY, Particle *SideZ);
35 
36 IMPSPBEXPORT void add_NuisanceMover(Particle *p, double dp,
38 
39 IMPSPB_END_NAMESPACE
40 
41 #endif /* IMPSPB_SPB_SAMPLER_H */
IMP::Vector< IMP::Pointer< MonteCarloMover > > MonteCarloMovers
Vector< VectorD< 3 > > Vector3Ds
Definition: VectorD.h:423
Include all non-deprecated headers in IMP.
Include all non-deprecated headers in IMP.core.
A smart pointer to a reference counted object.
Definition: Pointer.h:87
IMP::Vector< Transformation3D > Transformation3Ds
Include all non-deprecated headers in IMP.atom.