| Bsoft 2.0.5 Bernard's software package

Public Attributes | List of all members
Bmolgroup Struct Reference

`#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

## Detailed Description

Definition at line 170 of file rwmolecule.h.

## Member Data Documentation

## ◆ angle

Bangle* Bmolgroup::angle

Definition at line 191 of file rwmolecule.h.

## ◆ bond

Bbond* Bmolgroup::bond

Definition at line 190 of file rwmolecule.h.

## ◆ box

Vector3<double> Bmolgroup::box

Definition at line 184 of file rwmolecule.h.

## ◆ comment

Bstring Bmolgroup::comment

Definition at line 175 of file rwmolecule.h.

## ◆ filename

Bstring Bmolgroup::filename

Definition at line 172 of file rwmolecule.h.

## ◆ fom

double Bmolgroup::fom

Definition at line 187 of file rwmolecule.h.

## ◆ id

Bstring Bmolgroup::id

Definition at line 174 of file rwmolecule.h.

## ◆ max

Vector3<double> Bmolgroup::max

Definition at line 183 of file rwmolecule.h.

## ◆ maxlen

long Bmolgroup::maxlen

Definition at line 180 of file rwmolecule.h.

## ◆ maxnalen

long Bmolgroup::maxnalen

Definition at line 181 of file rwmolecule.h.

## ◆ min

Vector3<double> Bmolgroup::min

Definition at line 182 of file rwmolecule.h.

## ◆ mol

Bmolecule* Bmolgroup::mol

Definition at line 189 of file rwmolecule.h.

## ◆ next

Bmolgroup* Bmolgroup::next

Definition at line 171 of file rwmolecule.h.

## ◆ num

int Bmolgroup::num

Definition at line 173 of file rwmolecule.h.

## ◆ pointgroup

Bstring Bmolgroup::pointgroup

Definition at line 177 of file rwmolecule.h.

## ◆ sel

int Bmolgroup::sel

Definition at line 186 of file rwmolecule.h.

## ◆ select

Bstring Bmolgroup::select

Definition at line 185 of file rwmolecule.h.

## ◆ seqflag

int* Bmolgroup::seqflag

Definition at line 188 of file rwmolecule.h.

## ◆ sgstring

Bstring Bmolgroup::sgstring

Definition at line 178 of file rwmolecule.h.

## ◆ spacegroup

int Bmolgroup::spacegroup

Definition at line 176 of file rwmolecule.h.

## ◆ unitcell

UnitCell Bmolgroup::unitcell

Definition at line 179 of file rwmolecule.h.

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

- /Users/bernard/b20/bsoft/include/rwmolecule.h