![]() |
Rosetta
2020.50
|
#include <MMBondLengthScore.hh>
Public Member Functions | |
~MMBondLengthScore () override | |
Automatically generated virtual destructor for class deriving directly from VirtualBase. More... | |
MMBondLengthScore () | |
MMBondLengthScore (MMBondLengthLibrary const &mmtl) | |
Real | score (Real Kb, Real b0, Real d) const |
Real | score (mm_bondlength_atom_pair mm_atomtype_set, Real d) const |
Real | dscore (Real Kb, Real b0, Real d) const |
Real | dscore (mm_bondlength_atom_pair bondlength_atom_set, Real d) const |
Private Attributes | |
MMBondLengthLibrary const & | mm_bondlength_library_ |
Local MMBondLengthLibrary for looking up bond angle parameters. More... | |
|
overridedefault |
Automatically generated virtual destructor for class deriving directly from VirtualBase.
Auto-generated virtual destructor
core::scoring::mm::MMBondLengthScore::MMBondLengthScore | ( | ) |
core::scoring::mm::MMBondLengthScore::MMBondLengthScore | ( | MMBondLengthLibrary const & | mmtl | ) |
dscore takes Kb, b0, and a distance; returns an energy derivative.
Referenced by dscore().
Real core::scoring::mm::MMBondLengthScore::dscore | ( | mm_bondlength_atom_pair | bondlength_atom_set, |
Real | d | ||
) | const |
dscore takes Kb, b0, and a distance; returns an energy.
Referenced by score().
Real core::scoring::mm::MMBondLengthScore::score | ( | mm_bondlength_atom_pair | mm_atomtype_set, |
Real | d | ||
) | const |
Score take a set of 2 mm atom types in the form of an mm_bondlength_pair and a distance in Ang, and returns the energy.
References core::scoring::mm::MMBondLengthLibrary::lookup(), mm_bondlength_library_, core::scoring::pair, and score().
|
private |
Local MMBondLengthLibrary for looking up bond angle parameters.