AllAtomPotentialOpts Struct Reference

#include <all_atom_potential.hh>

Public Member Functions
	AllAtomPotentialOpts ()
	AllAtomPotentialOpts (float lower_cutoff, float upper_cutoff, float distance_bucket_size, int sequence_sep, float sigma=0.02)
template<typename DS >
void	Serialize (DS &ds)

Data Fields
float	sigma
float	lower_cutoff
float	upper_cutoff
float	distance_bucket_size
int	sequence_sep

---

Detailed Description

interaction statistics options

Definition at line 36 of file all_atom_potential.hh.

---

Constructor & Destructor Documentation

AllAtomPotentialOpts

(

)

AllAtomPotentialOpts	(	float	lower_cutoff,
		float	upper_cutoff,
		float	distance_bucket_size,
		int	sequence_sep,
		float	sigma = 0.02
	)

---

Member Function Documentation

void Serialize

(

DS &

ds

)

---

Field Documentation

float distance_bucket_size

distance bucket size

Definition at line 53 of file all_atom_potential.hh.

float lower_cutoff

atoms that are closer than the lower cutoff are not considered

Definition at line 48 of file all_atom_potential.hh.

int sequence_sep

sequence separation

Definition at line 55 of file all_atom_potential.hh.

float sigma

weight factor

Definition at line 46 of file all_atom_potential.hh.

float upper_cutoff

atoms that are further apart than the upper cutoff are ignored

Definition at line 50 of file all_atom_potential.hh.

---

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

• stage/include/ost/qa/all_atom_potential.hh