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IMP Reference Guide  develop.29b24c6ad6,2021/05/15
The Integrative Modeling Platform
IMP::atom::Bond Class Reference

A decorator for wrapping a particle representing a molecular bond. More...

#include <IMP/atom/bond_decorators.h>

+ Inheritance diagram for IMP::atom::Bond:

Detailed Description

A decorator for wrapping a particle representing a molecular bond.

As with Atom, the types of bonds will eventually be run-time expandable.

See Also
Bonded
IMP::atom::get_internal_bonds()

Definition at line 40 of file bond_decorators.h.

Public Types

enum  Type {
  UNKNOWN = -1, NONBIOLOGICAL, SINGLE = 1, DOUBLE = 2,
  TRIPLE = 3, HYDROGEN, SALT, PEPTIDE,
  AMIDE, AROMATIC
}
 The types a bond can have right now. More...
 

Public Member Functions

 Bond (::IMP::Model *m,::IMP::ParticleIndex id)
 
 Bond (const IMP::ParticleAdaptor &d)
 
Bonded get_bonded (unsigned int i) const
 Get the atom i of the bond. More...
 
Float get_length () const
 
Int get_order () const
 
Float get_stiffness () const
 
Int get_type () const
 
void set_length (Float t)
 
void set_order (Int t)
 
void set_stiffness (Float t)
 
void set_type (Int t)
 
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 bool get_is_setup (const IMP::ParticleAdaptor &p)
 
static bool get_is_setup (Model *m, ParticleIndex pi)
 
static FloatKey get_length_key ()
 

Additional Inherited Members

- Protected Member Functions inherited from IMP::Decorator
 Decorator (Model *m, ParticleIndex pi)
 
 Decorator (ParticleAdaptor p)
 

Member Enumeration Documentation

The types a bond can have right now.

Definition at line 52 of file bond_decorators.h.

Member Function Documentation

Bonded IMP::atom::Bond::get_bonded ( unsigned int  i) const

Get the atom i of the bond.

Parameters
[in]i0 or 1
Returns
Bonded for the atom in question

Definition at line 199 of file bond_decorators.h.

Float IMP::atom::Bond::get_length ( ) const

returns the value of the length attribute, or -1 if \ the length attribute is missing

Definition at line 78 of file bond_decorators.h.

Int IMP::atom::Bond::get_order ( ) const

returns the value of the order attribute, or 1 if \ the order attribute is missing

Definition at line 75 of file bond_decorators.h.

Float IMP::atom::Bond::get_stiffness ( ) const

returns the value of the stiffness attribute, or -1 if \ the stiffness attribute is missing

Definition at line 80 of file bond_decorators.h.

Int IMP::atom::Bond::get_type ( ) const

returns the value of the type attribute, or UNKNOWN if \ the type attribute is missing

Definition at line 72 of file bond_decorators.h.

void IMP::atom::Bond::set_length ( Float  t)

sets the length attribute to t

Definition at line 78 of file bond_decorators.h.

void IMP::atom::Bond::set_order ( Int  t)

sets the order attribute to t

Definition at line 75 of file bond_decorators.h.

void IMP::atom::Bond::set_stiffness ( Float  t)

sets the stiffness attribute to t

Definition at line 80 of file bond_decorators.h.

void IMP::atom::Bond::set_type ( Int  t)

sets the type attribute to t

Definition at line 72 of file bond_decorators.h.


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