ogl_utils.c File Reference

2D and 3D calculations utilities for distances and angles More...

#include "global.h"
#include "interface.h"
#include "glview.h"
#include "dlp_field.h"

Include dependency graph for ogl_utils.c:

Go to the source code of this file.

Functions
ColRGBA	init_color (int id, int numid)
	initialize color based id number over total number of elements
distance	distance_2d (atom *at, atom *bt)
	distance between atom a and b in 2D
distance	distance_3d (cell_info *cell, int mdstep, atom *at, atom *bt)
	distance between atom a and b in 3D
double	arc_cos (double val)
	compute arc cosinus
angle	angle_2d (atom *at, atom *bt, atom *ct)
	angle between atom a, b and c in 2D
angle	angle_3d (cell_info *cell, int mdstep, atom *at, atom *bt, atom *ct)
	angle between atom a, b and c in 3D
angle	dihedral_3d (cell_info *cell, int mdstep, atom *at, atom *bt, atom *ct, atom *dt)
	dihedral between atom a, b, c and d in 3D
angle	inversion_3d (cell_info *cell, int mdstep, atom *at, atom *bt, atom *ct, atom *dt)
	inversion angle between atom a, b, c and d in 3D

Variables
gboolean	field_color

Detailed Description

2D and 3D calculations utilities for distances and angles

Author

Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file ogl_utils.c.

Function Documentation

angle_2d()

angle angle_2d	(	atom *	at,
		atom *	bt,
		atom *	ct )

angle between atom a, b and c in 2D

Parameters

at	atom a
bt	atom b
ct	atom c

Definition at line 156 of file ogl_utils.c.

angle_3d()

angle angle_3d	(	cell_info *	cell,
		int	mdstep,
		atom *	at,
		atom *	bt,
		atom *	ct )

angle between atom a, b and c in 3D

Parameters

cell	unit cell
mdstep	the MD step
at	atom a
bt	atom b
ct	atom c

Definition at line 179 of file ogl_utils.c.

arc_cos()

double arc_cos

(

double

val

)

compute arc cosinus

Parameters

val

the angle

Definition at line 131 of file ogl_utils.c.

dihedral_3d()

angle dihedral_3d	(	cell_info *	cell,
		int	mdstep,
		atom *	at,
		atom *	bt,
		atom *	ct,
		atom *	dt )

dihedral between atom a, b, c and d in 3D

Parameters

cell	unit cell
mdstep	the MD step
at	atom a
bt	atom b
ct	atom c
dt	atom d

Definition at line 204 of file ogl_utils.c.

distance_2d()

distance distance_2d	(	atom *	at,
		atom *	bt )

distance between atom a and b in 2D

Parameters

at	atom a
bt	atom b

Definition at line 60 of file ogl_utils.c.

distance_3d()

distance distance_3d	(	cell_info *	cell,
		int	mdstep,
		atom *	at,
		atom *	bt )

distance between atom a and b in 3D

Parameters

cell	unit cell
mdstep	the MD step
at	atom a
bt	atom b

Definition at line 81 of file ogl_utils.c.

init_color()

ColRGBA init_color ( int id, int numid )

extern

initialize color based id number over total number of elements

Parameters

id	the id number
numid	the total number of elements

Definition at line 81 of file initcoord.c.

inversion_3d()

angle inversion_3d	(	cell_info *	cell,
		int	mdstep,
		atom *	at,
		atom *	bt,
		atom *	ct,
		atom *	dt )

inversion angle between atom a, b, c and d in 3D

Parameters

cell	unit cell
mdstep	the MD step
at	atom a
bt	atom b
ct	atom c
dt	atom d

Definition at line 240 of file ogl_utils.c.

Variable Documentation

field_color

gboolean field_color

extern

Definition at line 980 of file dlp_field.c.