#include <rwmolecule.h>

Public Attributes
Bmolgroup *	next

Bstring	filename

int	num

Bstring	id

Bstring	comment

int	spacegroup

Bstring	pointgroup

Bstring	sgstring

UnitCell	unitcell

long	maxlen

long	maxnalen

Vector3< double >	min

Vector3< double >	max

Vector3< double >	box

Bstring	select

int	sel

double	fom

int *	seqflag

Bmolecule *	mol

Bbond *	bond

Bangle *	angle

Member Data Documentation

◆ angle

Bangle* Bmolgroup::angle

◆ bond

Bbond* Bmolgroup::bond

◆ box

Vector3<double> Bmolgroup::box

◆ comment

Bstring Bmolgroup::comment

◆ filename

Bstring Bmolgroup::filename

◆ fom

double Bmolgroup::fom

◆ id

Bstring Bmolgroup::id

◆ max

Vector3<double> Bmolgroup::max

◆ maxlen

long Bmolgroup::maxlen

◆ maxnalen

long Bmolgroup::maxnalen

◆ min

Vector3<double> Bmolgroup::min

◆ mol

Bmolecule* Bmolgroup::mol

◆ next

Bmolgroup* Bmolgroup::next

◆ num

int Bmolgroup::num

◆ pointgroup

Bstring Bmolgroup::pointgroup

◆ sel

int Bmolgroup::sel

◆ select

Bstring Bmolgroup::select

◆ seqflag

int* Bmolgroup::seqflag

◆ sgstring

Bstring Bmolgroup::sgstring

◆ spacegroup

int Bmolgroup::spacegroup

◆ unitcell

UnitCell Bmolgroup::unitcell

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

/Users/heymannb/b20/bsoft/include/rwmolecule.h

Public Attributes