BALL::MMFF94StretchBend::Stretch Struct Reference

#include <BALL/MOLMEC/MMFF94/MMFF94StretchBend.h>

Public Member Functions
	Stretch ()

Public Attributes
Atom *	atom1
Atom *	atom2
double	kb
double	r0
double	delta_r
bool	sbmb
bool	emperical
Vector3	n

Detailed Description

Definition at line 60 of file MMFF94StretchBend.h.

Constructor & Destructor Documentation

Stretch()

BALL::MMFF94StretchBend::Stretch::Stretch ( )

inline

Definition at line 62 of file MMFF94StretchBend.h.

Member Data Documentation

atom1

Atom* BALL::MMFF94StretchBend::Stretch::atom1

Definition at line 73 of file MMFF94StretchBend.h.

atom2

Atom* BALL::MMFF94StretchBend::Stretch::atom2

Definition at line 74 of file MMFF94StretchBend.h.

delta_r

double BALL::MMFF94StretchBend::Stretch::delta_r

Definition at line 77 of file MMFF94StretchBend.h.

emperical

bool BALL::MMFF94StretchBend::Stretch::emperical

Definition at line 79 of file MMFF94StretchBend.h.

kb

double BALL::MMFF94StretchBend::Stretch::kb

Definition at line 75 of file MMFF94StretchBend.h.

n

Vector3 BALL::MMFF94StretchBend::Stretch::n

Definition at line 80 of file MMFF94StretchBend.h.

r0

double BALL::MMFF94StretchBend::Stretch::r0

Definition at line 76 of file MMFF94StretchBend.h.

sbmb

bool BALL::MMFF94StretchBend::Stretch::sbmb

Definition at line 78 of file MMFF94StretchBend.h.