IMP Reference Guide
develop.4390929e3e,2024/11/11
The Integrative Modeling Platform
|
A set of classes and functions for manipulating bonds. More...
A set of classes and functions for manipulating bonds.
Classes | |
class | IMP::atom::Bond |
A decorator for wrapping a particle representing a molecular bond. More... | |
class | IMP::atom::Bonded |
A decorator for a particle which has bonds. More... | |
class | IMP::atom::BondedPairFilter |
A filter for bonds. More... | |
class | IMP::atom::BondEndpointsRefiner |
Return the endpoints of a bond. More... | |
class | IMP::atom::BondPairContainer |
A container that returns pairs of the endpoints of the bonds. More... | |
class | IMP::atom::BondSingletonScore |
Score the bond based on a UnaryFunction,. More... | |
Functions | |
Bond | IMP::atom::create_bond (Bonded a, Bonded b, Int t) |
Connect the two wrapped particles by a bond. More... | |
Bond | IMP::atom::create_bond (Bonded a, Bonded b, Bond o) |
Connect the two wrapped particles by a custom bond. More... | |
Bond | IMP::atom::create_custom_bond (Bonded a, Bonded b, Float length, Float stiffness=-1) |
Connect the two wrapped particles by a custom bond. More... | |
void | IMP::atom::destroy_bond (Bond b) |
Destroy the bond connecting two particles. More... | |
Bond | IMP::atom::get_bond (Bonded a, Bonded b) |
Get the bond between two particles. More... | |
Bond IMP::atom::create_bond | ( | Bonded | a, |
Bonded | b, | ||
Int | t | ||
) |
Bond IMP::atom::create_bond | ( | Bonded | a, |
Bonded | b, | ||
Bond | o | ||
) |
Connect the two wrapped particles by a custom bond.
Create a bond by copying the information from the other bond
Definition at line 256 of file bond_decorators.h.
Bond IMP::atom::create_custom_bond | ( | Bonded | a, |
Bonded | b, | ||
Float | length, | ||
Float | stiffness = -1 |
||
) |
Connect the two wrapped particles by a custom bond.
[in] | a | The first Particle as a Bonded |
[in] | b | The second Particle as a Bonded |
[in] | length | The length of the bond. |
[in] | stiffness | The stiffness of the bond. |
Definition at line 237 of file bond_decorators.h.
void IMP::atom::destroy_bond | ( | Bond | b | ) |