BALL  1.4.1
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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

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

Member Data Documentation

Position BALL::MMFF94StretchBend::Bend::ATIJK

Definition at line 53 of file MMFF94StretchBend.h.

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

Definition at line 49 of file MMFF94StretchBend.h.

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

Definition at line 50 of file MMFF94StretchBend.h.

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

Definition at line 51 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::delta_theta

Definition at line 46 of file MMFF94StretchBend.h.

bool BALL::MMFF94StretchBend::Bend::emperical

Definition at line 55 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::energy

Definition at line 54 of file MMFF94StretchBend.h.

bool BALL::MMFF94StretchBend::Bend::is_linear

Definition at line 52 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::ka

Definition at line 48 of file MMFF94StretchBend.h.

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

Definition at line 56 of file MMFF94StretchBend.h.

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

Definition at line 56 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::theta

Definition at line 47 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::theta0

Definition at line 45 of file MMFF94StretchBend.h.