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 838 of file global.h.

Field Documentation

chain

int** chain

Chain statistics information

Definition at line 872 of file global.h.

cloned

gboolean cloned

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

Definition at line 878 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 853 of file global.h.

faid

int faid

Force field id in fragment

Definition at line 874 of file global.h.

fid

int fid

Force field id

Definition at line 873 of file global.h.

id

int id

The atom's id in the model

Definition at line 840 of file global.h.

label

gboolean label[2]

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

Definition at line 876 of file global.h.

next

atom* next

Definition at line 881 of file global.h.

numv

int numv

The number of neighbors

Definition at line 846 of file global.h.

pick

gboolean pick[2]

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

Definition at line 877 of file global.h.

prev

atom* prev

Definition at line 880 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 865 of file global.h.

show

gboolean show[2]

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

Definition at line 875 of file global.h.

sp

int sp

The chemical species

Definition at line 841 of file global.h.

style

int style

Rendering style if not global

Definition at line 879 of file global.h.

vois

int* vois

The list of neighbors

Definition at line 847 of file global.h.

x

double x

x coordinate

Definition at line 843 of file global.h.

y

double y

y coordinate

Definition at line 844 of file global.h.

z

double z

z coordinate

Definition at line 845 of file global.h.

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

• global.h