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IMP Reference Guide
develop.63b38c487d,2024/12/21
The Integrative Modeling Platform
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A decorator for wrapping a particle representing a molecular bond. More...
#include <IMP/atom/bond_decorators.h>
Inheritance diagram for IMP::atom::Bond:A decorator for wrapping a particle representing a molecular bond.
As with Atom, the types of bonds will eventually be run-time expandable.
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... | |
| Model * | get_model () const |
| Returns the Model containing the particle. More... | |
| Particle * | get_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 | |
| Particle * | operator-> () 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) | |
The types a bond can have right now.
Definition at line 52 of file bond_decorators.h.
| Bonded IMP::atom::Bond::get_bonded | ( | unsigned int | i | ) | const |
Get the atom i of the bond.
| [in] | i | 0 or 1 |
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.