BALL  1.4.79
Public Member Functions | Public Attributes | List of all members
BALL::MMFF94StretchBend::Bend Struct Reference

see MMFFANG.PAR More...

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

Public Member Functions

 Bend ()
 

Public Attributes

double theta0
 
double delta_theta
 
double theta
 
double ka
 
Atomatom1
 
Atomatom2
 
Atomatom3
 
bool is_linear
 
Position ATIJK
 
double energy
 
bool emperical
 
TVector3< doublen1
 
TVector3< doublen2
 

Detailed Description

see MMFFANG.PAR

Definition at line 41 of file MMFF94StretchBend.h.

Constructor & Destructor Documentation

§ Bend()

BALL::MMFF94StretchBend::Bend::Bend ( )

Member Data Documentation

§ ATIJK

Position BALL::MMFF94StretchBend::Bend::ATIJK

Definition at line 53 of file MMFF94StretchBend.h.

§ atom1

Atom* BALL::MMFF94StretchBend::Bend::atom1

Definition at line 49 of file MMFF94StretchBend.h.

§ atom2

Atom* BALL::MMFF94StretchBend::Bend::atom2

Definition at line 50 of file MMFF94StretchBend.h.

§ atom3

Atom* BALL::MMFF94StretchBend::Bend::atom3

Definition at line 51 of file MMFF94StretchBend.h.

§ delta_theta

double BALL::MMFF94StretchBend::Bend::delta_theta

Definition at line 46 of file MMFF94StretchBend.h.

§ emperical

bool BALL::MMFF94StretchBend::Bend::emperical

Definition at line 55 of file MMFF94StretchBend.h.

§ energy

double BALL::MMFF94StretchBend::Bend::energy

Definition at line 54 of file MMFF94StretchBend.h.

§ is_linear

bool BALL::MMFF94StretchBend::Bend::is_linear

Definition at line 52 of file MMFF94StretchBend.h.

§ ka

double BALL::MMFF94StretchBend::Bend::ka

Definition at line 48 of file MMFF94StretchBend.h.

§ n1

TVector3<double> BALL::MMFF94StretchBend::Bend::n1

Definition at line 56 of file MMFF94StretchBend.h.

§ n2

TVector3<double> BALL::MMFF94StretchBend::Bend::n2

Definition at line 56 of file MMFF94StretchBend.h.

§ theta

double BALL::MMFF94StretchBend::Bend::theta

Definition at line 47 of file MMFF94StretchBend.h.

§ theta0

double BALL::MMFF94StretchBend::Bend::theta0

Definition at line 45 of file MMFF94StretchBend.h.