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IMP Reference Guide  develop.97bab1d8fd,2021/09/17
The Integrative Modeling Platform
IMP::atom::Residue Class Reference

A decorator for a residue. More...

#include <IMP/atom/Residue.h>

+ Inheritance diagram for IMP::atom::Residue:

Detailed Description

A decorator for a residue.

As with the Atom, the names of residues may be expanded dynamically. This can be easily done in an analogous manner when we need it.

Examples:
atom/dope_and_excluded_volume.cpp.

Definition at line 137 of file Residue.h.

Public Member Functions

 Residue (::IMP::Model *m,::IMP::ParticleIndex id)
 
 Residue (const IMP::ParticleAdaptor &d)
 
Int get_index () const
 The residues index in the chain. More...
 
char get_insertion_code () const
 
bool get_is_dna () const
 
bool get_is_protein () const
 
bool get_is_rna () const
 
ResidueType get_residue_type () const
 
void set_index (Int t)
 
void set_insertion_code (char insertion_code)
 
void set_residue_type (ResidueType t)
 Update the stored ResidueType and the atom::Hierarchy::Name. More...
 
void show (std::ostream &out=std::cout) const
 
- Public Member Functions inherited from IMP::atom::Hierarchy
 Hierarchy (Model *m, ParticleIndex pi)
 
 Hierarchy (ParticleAdaptor pi)
 
 Hierarchy ()
 Null constructor. More...
 
 Hierarchy (IMP::core::Hierarchy h)
 The traits must match. More...
 
void add_child (Hierarchy o)
 Add a child and check that the types are appropriate. More...
 
Hierarchy get_child (unsigned int i) const
 Get the ith child based on the order they were added. More...
 
Hierarchies get_children () const
 Return the children in the order they were added. More...
 
template<class C >
get_children () const
 Get the children in a container of your choosing, eg ParticlesTemp. More...
 
bool get_is_valid (bool print_info=false) const
 Return true if the hierarchy is valid. More...
 
Hierarchy get_parent () const
 Get the parent particle. More...
 
void show (std::ostream &out=std::cout) const
 
- Public Member Functions inherited from IMP::core::Hierarchy
 Hierarchy (const IMP::ParticleAdaptor &d, const HierarchyTraits &tr=get_default_traits())
 
 Hierarchy (::IMP::Model *m,::IMP::ParticleIndex id, const HierarchyTraits &tr=get_default_traits())
 
void add_child (Hierarchy h) const
 
void add_child_at (Hierarchy h, unsigned int pos)
 
void clear_children ()
 
Hierarchy get_child (unsigned int i) const
 
ParticleIndex get_child_index (unsigned int i) const
 
int get_child_index () const
 Return i such that get_parent().get_child(i) == this More...
 
GenericHierarchies get_children () const
 
ParticleIndexes get_children_indexes () const
 
const DecoratorTraitsget_decorator_traits () const
 
unsigned int get_number_of_children () const
 
Hierarchy get_parent () const
 
HierarchyTraits get_traits ()
 
void remove_child (unsigned int i)
 
void remove_child (Hierarchy h)
 
void show (std::ostream &out=std::cout) const
 
- Public Member Functions inherited from IMP::Decorator
bool get_is_valid () const
 Returns true if constructed with a non-default constructor. More...
 
Modelget_model () const
 Returns the Model containing the particle. More...
 
Particleget_particle () const
 Returns the particle decorated by this decorator. More...
 
ParticleIndex get_particle_index () const
 Returns the particle index decorated by this decorator. More...
 
 operator Particle * () const
 
 operator ParticleIndex () const
 
Particleoperator-> () const
 

Static Public Member Functions

static IntKey get_index_key ()
 
static IntKey get_insertion_code_key ()
 
static bool get_is_setup (const IMP::ParticleAdaptor &p)
 
static bool get_is_setup (Model *m, ParticleIndex pi)
 
static IntKey get_residue_type_key ()
 
static TriggerKey get_type_changed_key ()
 The key used to signal to the Model that residue/atom type has changed. More...
 
static Residue setup_particle (Model *m, ParticleIndex pi, ResidueType t, int index, int insertion_code)
 
static Residue setup_particle (IMP::ParticleAdaptor decorator, ResidueType t, int index, int insertion_code)
 
static Residue setup_particle (Model *m, ParticleIndex pi, ResidueType t, int index)
 
static Residue setup_particle (IMP::ParticleAdaptor decorator, ResidueType t, int index)
 
static Residue setup_particle (IMP::ParticleAdaptor decorator, ResidueType t)
 
static Residue setup_particle (Model *m, ParticleIndex pi, ResidueType t)
 
static Residue setup_particle (IMP::ParticleAdaptor decorator, Residue other)
 
static Residue setup_particle (Model *m, ParticleIndex pi, Residue other)
 
- Static Public Member Functions inherited from IMP::atom::Hierarchy
static bool get_is_setup (Model *m, ParticleIndex p)
 Check if the particle has the needed attributes for a cast to succeed. More...
 
static const
IMP::core::HierarchyTraits
get_traits ()
 Get the molecular hierarchy HierarchyTraits. More...
 
static Hierarchy setup_particle (Model *m, ParticleIndex pi, ParticleIndexesAdaptor children=ParticleIndexesAdaptor())
 Create a Hierarchy of level t by adding the needed attributes. More...
 
- Static Public Member Functions inherited from IMP::core::Hierarchy
static TriggerKey get_changed_key ()
 The key used to signal to the Model that the Hierarchy has changed. More...
 
static const DecoratorTraitsget_default_decorator_traits ()
 
static const HierarchyTraitsget_default_traits ()
 Get the default hierarchy traits. More...
 
static bool get_is_setup (const IMP::ParticleAdaptor &p, const HierarchyTraits &tr=get_default_traits())
 
static bool get_is_setup (Model *, ParticleIndex, HierarchyTraits=Hierarchy::get_default_traits())
 
static Hierarchy setup_particle (IMP::ParticleAdaptor d, DecoratorTraits tr=get_default_decorator_traits())
 
static Hierarchy setup_particle (Model *m, ParticleIndex pi, DecoratorTraits tr=get_default_decorator_traits())
 
static Hierarchy setup_particle (Model *m, ParticleIndex pi, ParticleIndexes children, DecoratorTraits tr=get_default_decorator_traits())
 
static Hierarchy setup_particle (IMP::ParticleAdaptor d, ParticleIndexes children, DecoratorTraits tr=get_default_decorator_traits())
 
static Hierarchy setup_particle (IMP::ParticleAdaptor d, ParticlesTemp children, DecoratorTraits tr=get_default_decorator_traits())
 
static Hierarchy setup_particle (Model *m, ParticleIndex pi, ParticlesTemp children, DecoratorTraits tr=get_default_decorator_traits())
 

Additional Inherited Members

- Public Types inherited from IMP::core::Hierarchy
typedef HierarchyTraits DecoratorTraits
 
- Protected Member Functions inherited from IMP::Decorator
 Decorator (Model *m, ParticleIndex pi)
 
 Decorator (ParticleAdaptor p)
 

Member Function Documentation

Int IMP::atom::Residue::get_index ( ) const

The residues index in the chain.

returns the value of the index attribute

Definition at line 196 of file Residue.h.

static TriggerKey IMP::atom::Residue::get_type_changed_key ( )
static

The key used to signal to the Model that residue/atom type has changed.

void IMP::atom::Residue::set_index ( Int  t)

sets the value of the index attribute to t

Definition at line 196 of file Residue.h.

void IMP::atom::Residue::set_residue_type ( ResidueType  t)

Update the stored ResidueType and the atom::Hierarchy::Name.

static Residue IMP::atom::Residue::setup_particle ( Model m,
ParticleIndex  pi,
ResidueType  t,
int  index,
int  insertion_code 
)
static

Setup the particle so it can be used with this decorator.

Examples:
atom/dope_and_excluded_volume.cpp.

Definition at line 160 of file Residue.h.

static Residue IMP::atom::Residue::setup_particle ( Model m,
ParticleIndex  pi,
ResidueType  t,
int  index 
)
static

Setup the particle as a Residue with the passed type and index. Setup the particle so it can be used with this decorator.

Definition at line 162 of file Residue.h.

static Residue IMP::atom::Residue::setup_particle ( IMP::ParticleAdaptor  decorator,
ResidueType  t 
)
static
See Also
setup_particle(m, pi, t )

Definition at line 163 of file Residue.h.

static Residue IMP::atom::Residue::setup_particle ( Model m,
ParticleIndex  pi,
ResidueType  t 
)
static

Setup the particle so that it can be used with this decorator

Definition at line 163 of file Residue.h.

static Residue IMP::atom::Residue::setup_particle ( Model m,
ParticleIndex  pi,
Residue  other 
)
static

Setup the particle so that it can be used with this decorator

Definition at line 164 of file Residue.h.

static Residue IMP::atom::Residue::setup_particle ( IMP::ParticleAdaptor  decorator,
Residue  other 
)
static
See Also
setup_particle(m, pi, other )

Definition at line 164 of file Residue.h.


The documentation for this class was generated from the following file: