atom Struct Reference

#include <global.h>

Collaboration diagram for atom:

Data Fields
int	id
int	sp
double	x
double	y
double	z
int	numv
int *	vois
int	coord [5]
int **	rings [5]
int **	chain
int	fid
int	faid
gboolean	show [2]
gboolean	label [2]
gboolean	pick [2]
gboolean	cloned
int	style
atom *	prev
atom *	next

Detailed Description

Definition at line 885 of file global.h.

Field Documentation

chain

int** chain

Chain statistics information

Definition at line 919 of file global.h.

cloned

gboolean cloned

Clone(s) ? (0 = no, 1 = yes)

Definition at line 925 of file global.h.

coord

int coord[5]

Coordination information:
0 = Total coordination,
1 = Partial coordination,
2 = Fragment,
3 = Molecule,
4 = Field object id

Definition at line 900 of file global.h.

faid

int faid

Force field id in fragment

Definition at line 921 of file global.h.

fid

int fid

Force field id

Definition at line 920 of file global.h.

id

int id

The atom's id in the model

Definition at line 887 of file global.h.

label

gboolean label[2]

Label / Unlabel (0 = atom, 1 = clone)

Definition at line 923 of file global.h.

next

atom* next

Definition at line 928 of file global.h.

numv

int numv

The number of neighbors

Definition at line 893 of file global.h.

pick

gboolean pick[2]

Selected / Unselected (0 = atom, 1 = clone)

Definition at line 924 of file global.h.

prev

atom* prev

Definition at line 927 of file global.h.

rings

int** rings[5]

Ring statistics information:
0 = All,
1 = King's,
2 = Guttman,
3 = Primitive,
4 = Strong

Definition at line 912 of file global.h.

show

gboolean show[2]

Show / Hide (0 = atom, 1 = clone)

Definition at line 922 of file global.h.

sp

int sp

The chemical species

Definition at line 888 of file global.h.

style

int style

Rendering style if not global

Definition at line 926 of file global.h.

vois

int* vois

The list of neighbors

Definition at line 894 of file global.h.

x

double x

x coordinate

Definition at line 890 of file global.h.

y

double y

y coordinate

Definition at line 891 of file global.h.

z

double z

z coordinate

Definition at line 892 of file global.h.

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

• global.h