IMP  2.1.0
The Integrative Modeling Platform
EzRestraint.h
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1 /**
2  * \file atom/EzRestraint.h
3  * \brief Ez potential. A statistical scoring function for atom proteins
4  *
5  * Copyright 2013 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPATOM_EZ_RESTRAINT_H
9 #define IMPATOM_EZ_RESTRAINT_H
10 
11 #include <IMP/atom/atom_config.h>
12 #include <IMP/kernel/Restraint.h>
13 #include <IMP/restraint_macros.h>
14 #include <IMP/kernel/Particle.h>
15 #include <IMP/UnaryFunction.h>
16 #include <IMP/base_types.h>
17 #include <string>
18 
19 IMPATOM_BEGIN_NAMESPACE
20 
21 //! Ez Potential kernel::Restraint
22 /** Ez, a Depth-dependent Potential for Assessing the Energies of
23  Insertion of Amino Acid Side-chains into Membranes.
24  Senes et al. J. Mol. Biol. (2007) 366, 436–448
25  */
26 class IMPATOMEXPORT EzRestraint : public kernel::Restraint {
27 
29  UnaryFunctions ufs_;
30  Floats get_parameters(std::string restype);
31 
32  protected:
33  virtual double unprotected_evaluate(DerivativeAccumulator *da) const
34  IMP_OVERRIDE;
35  virtual kernel::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
36 
37  public:
39 
41 };
42 
43 IMPATOM_END_NAMESPACE
44 
45 #endif /* IMPATOM_EZ_RESTRAINT_H */
IMP::base::Vector< IMP::base::Pointer< UnaryFunction > > UnaryFunctions
Import IMP/kernel/base_types.h in the namespace.
Class for adding derivatives from restraints to the model.
Import IMP/kernel/UnaryFunction.h in the namespace.
Import IMP/kernel/restraint_macros.h in the namespace.
Abstract base class for all restraints.
A restraint is a term in an IMP ScoringFunction.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Classes to handle individual model particles.
virtual ModelObjectsTemp do_get_inputs() const =0
Ez Potential kernel::Restraint.
Definition: EzRestraint.h:26