glview.h File Reference

Variable declarations related to the OpenGL window
Function declarations related to the OpenGL window. More...

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Data Structures
struct	gl_pop_info

Macros
#define	QUALITY   30
	Default OpenGL quality (number of polygons)
#define	DEFAULT_STYLE   1
	Default OpenGL style: ball and stick.
#define	DEFAULT_SIZE   1
#define	DEFAULT_LIGHTNING   1.00
	Default OpenGL material ligthning.
#define	DEFAULT_METALLIC   0.35
	Default OpenGL material metallic.
#define	DEFAULT_ROUGHNESS   0.15
	Default OpenGL material roughness.
#define	DEFAULT_AMBIANT_OCCLUSION   1.00
	Default OpenGL material ambiant occlusion.
#define	DEFAULT_GAMMA_CORRECTION   1.50
	Default OpenGL material gamma correction.
#define	DEFAULT_OPACITY   1.00
	Default OpenGL opacity.
#define	MAX_LIGHTS   10
	Maximum number of light sources.
#define	DEFAULT_INTENSITY   10.0
	Default light intensity.
#define	NEAR_PLANE   1.0
	Default value for the OpenGL near plane.
#define	FAR_PLANE   10.0
	Default value for the OpenGL far plane.
#define	CAMERA_ANGLE_X   5.0
	Default value for the OpenGL camera pitch in °
#define	CAMERA_ANGLE_Y   -25.0
	Default value for the OpenGL camera heading in °
#define	CAMERA_ANGLE_Z   0.0
	Default value for the OpenGL camera toll in °
#define	ZOOM   1.5
	Default value for the OpenGL zoom.
#define	ZOOM_FACTOR   0.05
	Default value for the OpenGL zoom factor.
#define	ZOOM_MAX   0.001
	Maximum value for the OpenGL zoom factor.
#define	REFRESH   10
	Refresh time for spinning the OpenGL window in milliseconds.
#define	MAX_IN_SELECTION   21
	Maximum number of atoms in selection to display measure information.
#define	COORD_MAX_MENU   20
	Maximum number of fragments or molecules to build the related menu items.
#define	NUM_STYLES   7

Typedefs
typedef struct gl_pop_info	gl_pop_info

Enumerations
enum	radii { VDW = 0 , INC = 1 , COV = 2 , ION = 3 }
enum	representation { ORTHOGRAPHIC = 0 , PERSPECTIVE = 1 }
enum	modes {   ANALYZE = 0 , EDITION = 1 , MOTION = 2 , DL_POLY = 3 ,   LAAMPS = 4 , CPMD_AI = 5 , CP2K_AI = 6 , CP2K_QMMM = 7 ,   CP2K_MM = 8 }
enum	styles {   NONE = -1 , BALL_AND_STICK = 0 , WIREFRAME = 1 , SPACEFILL = 2 ,   SPHERES = 3 , CYLINDERS = 4 , PUNT = 5 }
enum	render { FILL = 0 , LINE = 1 , PTS = 2 }
enum	action {   ROTATE = 0 , MOVE = 1 , SELECT = 2 , ZOOM_IN_OUT = 3 ,   SPIN = 4 }
enum	mouse_status { CLICKED = 0 , RELEASED = 1 }
enum	axisposition {   TOP_RIGHT = 0 , TOP_LEFT = 1 , BOTTOM_RIGHT = 2 , BOTTOM_LEFT = 3 ,   CENTER = 4 , CUSTOM = 5 }
enum	labels {   ELEMENT_NAME = 0 , SYMBOL = 1 , SYMBOL_AND_NUM = 2 , NUM = 3 ,   ID_IN_MOLECULE = 4 }
enum	actions {   DISPL = 2 , REPLACE = 3 , REMOVE = 4 , INSERT = 5 ,   RANMOVE = 6 }
enum	texts { SIMPLE_TEXT = 0 , BETTER_TEXT = 1 }

Functions
GLfloat **	allocdGLfloat (int xal, int yal)
	allocate a GLfloat ** pointer
gboolean	create_bond (int ac, int bid, int ba, int bb, int sel, double length)
void	draw_cylinder_bond (atom a, atom b, int bid, int ci, int bi)
void	draw_cylinder_bond_to_pick (atom a, atom b, int bid)
void	draw_wireframe_bond (atom a, atom b, int ci, int bi)
gboolean	create_atom (GLUquadricObj *quadric, int aid, int ac, int sp, int sel)
void	draw_vertices (int id)
	Draw OpenGL shader program.
void	draw_atom_to_pick (atom at)
void	draw_atom (atom at, double al)
void	draw_rings_gl (int se, int ge, int ta, int id)
void	draw_box ()
void	prepare_cuboid (vec3_t position, int id)
	OpenGL 3D light object rendering.
void	prepare_axis ()
void	draw (glwin *view)
	main drawing subroutine for the OpenGL window
void	render_all_strings (int glsl, int id)
	render all string to be rendered for a label list
void	prepare_string (char *text, int id, ColRGBA col, vec3_t pos, float lshift[3], atom *at, atom *bt, atom *ct)
	prepare a screen string to be rendered
ColRGBA	init_color (int id, int numid)
	initialize color based id number over total number of elements
ColRGBA	set_default_color (int z)
	pick the default color for an atom
void	sort (int dim, int *tab)
	sort, nim to max, a table by integer value
vec3_t	get_insertion_coordinates (glwin *view)
	get the insertion coordinates to insert object in the 3D window
void	setup_bonds (glwin *view)
void	update (glwin *view)
	update the rendering of the OpenGL window
void	center_this_molecule (glwin *view)
	center atomic coordinates around (0,0,0) and refresh shaders
G_MODULE_EXPORT void	to_center_this_molecule (GtkWidget *widg, gpointer data)
	center this molecule menu item callback GTK4
G_MODULE_EXPORT void	on_lib_button_pressed (GtkGesture *gesture, int n_press, double x, double y, gpointer data)
	handle mouse button press event on the molecular library OpenGL window (limited interaction)
G_MODULE_EXPORT void	on_lib_button_released (GtkGesture *gesture, int n_press, double x, double y, gpointer data)
	handle mouse button release event on the molecular library OpenGL window (limited interaction)
G_MODULE_EXPORT void	on_glwin_button_pressed (GtkGesture *gesture, int n_press, double x, double y, gpointer data)
	mouse button pressed signal on the OpenGL window
G_MODULE_EXPORT void	on_glwin_button_released (GtkGesture *gesture, int n_press, double x, double y, gpointer data)
	mouse button released signal on the OpenGL window
G_MODULE_EXPORT void	on_glwin_pointer_motion (GtkEventControllerMotion *motion, gdouble x, gdouble y, gpointer data)
	handle mouse motion event in the OpenGL window GTK4
G_MODULE_EXPORT gboolean	on_glwin_pointer_scoll (GtkEventControllerScroll *event, gdouble dx, gdouble dy, gpointer data)
	handle mouse scroll event on the OpenGL window
void	reshape (glwin *view, int width, int height, gboolean use_ratio)
	reshape (resize) the OpenGL window
void	zoom (glwin *view, int delta)
	zoom in or zoom out in the OpenGL window
void	init_opengl ()
	initialize OpenGL rendering parameters
void	init_camera (project *this_proj, gboolean get_depth)
G_MODULE_EXPORT void	on_realize (GtkWidget *area, gpointer data)
	realize event for the OpenGL widget
G_MODULE_EXPORT gboolean	on_expose (GtkWidget *widg, cairo_t *cr, gpointer data)
	OpenGL rendering widget expose event callback GTK3.
void	debug_image (image img, int i)
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
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
atom *	duplicate_atom (atom *at)
	copy (partially) an atom data structure
void	at_shift (atom *at, float *shift)
	modify atomic coordinates to display image in cell replica
void	at_unshift (atom *at, float *shift)
	correct atomic coordinates modified to display image in cell replica
int	check_label_numbers (project *this_proj, int types)
	check how many atom label(s) are visible
mat4_t	create_axis_matrices (int type)
	create axis OpenGL rendering matrices
mat4_t	create_label_matrices ()
	create label projection matrices
void	re_create_all_md_shaders (glwin *view)
	re-initialize all MD dependent OpenGL shaders
void	re_create_md_shaders (int nshaders, int shaders[nshaders], project *this_proj)
	re-initialize some MD dependent OpenGL shaders
void	cleaning_shaders (glwin *view, int shader)
	re-initialize an OpenGL shader
void	init_default_shaders (glwin *view)
	re-initialize the default OpenGL shaders
void	init_shaders (glwin *view)
	initialize all the OpenGL shaders
glsl_program *	init_shader_program (int object, int object_id, const GLchar *vertex, const GLchar *geometry, const GLchar *fragment, GLenum type_of_vertices, int narray, int nunif, gboolean lightning, object_3d *obj)
	create an OpenGL shader program
void	update_selection_list (atom_selection *at_list, atom *at, gboolean add)
	update the selection list adding or removing an atom
void	update_all_selections (glwin *view, int pi)
	update the selection data: bonds, angles and dihedrals
void	save_all_selections (glwin *view, int pi)
	save all selection data
void	process_selected_atom (project *this_proj, glwin *view, int id, int ac, int se, int pi)
	process selected atom
void	update_selection_tree (glwin *view, int pi, int id)
	update measurements tree view
void	update_all_menus (glwin *view, int nats)
	update all menus of the OpenGL window
gboolean	is_coord_in_menu (int id, project *this_proj)
	is this coordination in a menu ?
atom_search *	free_this_search_data (atom_search *this_search)
	free atom search data structure
G_MODULE_EXPORT void	show_hide_clones (GSimpleAction *action, GVariant *state, gpointer data)
	show/hide clones menu item callback
void	popup_selection (glwin *view, double ptx, double pty, int se, int pe, int ai, int bi, int ac)
	create the contextual popup menu, right click on atom or bond
void	popup_main_menu (glwin *view, double ptx, double pty)
	create the OpenGL window popup menu

Variables
GLfloat	initlights [4][4]
gboolean	pick
glwin *	wingl
project *	proj_gl
coord_info *	coord_gl
box_info *	box_gl
cell_info *	cell_gl
int	proj_sp
int	proj_at
image *	plot
int	qual
int	acolorm
int	pcolorm
int	step
int	gColorID [3]
int	field_object
GLenum	ogl_texture
int	nbs
int	nbl
int	nba
gl_pop_info	to_pop

Detailed Description

Variable declarations related to the OpenGL window
Function declarations related to the OpenGL window.

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 glview.h.

Macro Definition Documentation

CAMERA_ANGLE_X

#define CAMERA_ANGLE_X   5.0

Default value for the OpenGL camera pitch in °

Definition at line 100 of file glview.h.

CAMERA_ANGLE_Y

#define CAMERA_ANGLE_Y   -25.0

Default value for the OpenGL camera heading in °

Definition at line 105 of file glview.h.

CAMERA_ANGLE_Z

#define CAMERA_ANGLE_Z   0.0

Default value for the OpenGL camera toll in °

Definition at line 110 of file glview.h.

COORD_MAX_MENU

#define COORD_MAX_MENU   20

Maximum number of fragments or molecules to build the related menu items.

Definition at line 139 of file glview.h.

DEFAULT_AMBIANT_OCCLUSION

#define DEFAULT_AMBIANT_OCCLUSION   1.00

Default OpenGL material ambiant occlusion.

Definition at line 64 of file glview.h.

DEFAULT_GAMMA_CORRECTION

#define DEFAULT_GAMMA_CORRECTION   1.50

Default OpenGL material gamma correction.

Definition at line 69 of file glview.h.

DEFAULT_INTENSITY

#define DEFAULT_INTENSITY   10.0

Default light intensity.

Definition at line 85 of file glview.h.

DEFAULT_LIGHTNING

#define DEFAULT_LIGHTNING   1.00

Default OpenGL material ligthning.

Definition at line 49 of file glview.h.

DEFAULT_METALLIC

#define DEFAULT_METALLIC   0.35

Default OpenGL material metallic.

Definition at line 54 of file glview.h.

DEFAULT_OPACITY

#define DEFAULT_OPACITY   1.00

Default OpenGL opacity.

Definition at line 74 of file glview.h.

DEFAULT_ROUGHNESS

#define DEFAULT_ROUGHNESS   0.15

Default OpenGL material roughness.

Definition at line 59 of file glview.h.

DEFAULT_SIZE

#define DEFAULT_SIZE   1

Definition at line 45 of file glview.h.

DEFAULT_STYLE

#define DEFAULT_STYLE   1

Default OpenGL style: ball and stick.

Definition at line 43 of file glview.h.

FAR_PLANE

#define FAR_PLANE   10.0

Default value for the OpenGL far plane.

Definition at line 95 of file glview.h.

MAX_IN_SELECTION

#define MAX_IN_SELECTION   21

Maximum number of atoms in selection to display measure information.

Definition at line 135 of file glview.h.

MAX_LIGHTS

#define MAX_LIGHTS   10

Maximum number of light sources.

Definition at line 80 of file glview.h.

NEAR_PLANE

#define NEAR_PLANE   1.0

Default value for the OpenGL near plane.

Definition at line 90 of file glview.h.

NUM_STYLES

#define NUM_STYLES   7

Definition at line 168 of file glview.h.

QUALITY

#define QUALITY   30

Default OpenGL quality (number of polygons)

Definition at line 39 of file glview.h.

REFRESH

#define REFRESH   10

Refresh time for spinning the OpenGL window in milliseconds.

Definition at line 130 of file glview.h.

ZOOM

#define ZOOM   1.5

Default value for the OpenGL zoom.

Definition at line 115 of file glview.h.

ZOOM_FACTOR

#define ZOOM_FACTOR   0.05

Default value for the OpenGL zoom factor.

Definition at line 120 of file glview.h.

ZOOM_MAX

#define ZOOM_MAX   0.001

Maximum value for the OpenGL zoom factor.

Definition at line 125 of file glview.h.

Typedef Documentation

gl_pop_info

typedef struct gl_pop_info gl_pop_info

Definition at line 366 of file glview.h.

Enumeration Type Documentation

action

enum action

Enumerator
ROTATE	0
MOVE	1
SELECT	2
ZOOM_IN_OUT	3
SPIN	4

Definition at line 189 of file glview.h.

actions

enum actions

Enumerator
DISPL	2
REPLACE	3
REMOVE	4
INSERT	5
RANMOVE	6

Definition at line 223 of file glview.h.

axisposition

enum axisposition

Enumerator
TOP_RIGHT	0
TOP_LEFT	1
BOTTOM_RIGHT	2
BOTTOM_LEFT	3
CENTER	4
CUSTOM	5

Definition at line 204 of file glview.h.

labels

enum labels

Enumerator
ELEMENT_NAME	0
SYMBOL	1
SYMBOL_AND_NUM	2
NUM	3
ID_IN_MOLECULE	4

Definition at line 214 of file glview.h.

modes

enum modes

Enumerator
ANALYZE	0
EDITION	1
MOTION	2
DL_POLY	3
LAAMPS	4
CPMD_AI	5
CP2K_AI	6
CP2K_QMMM	7
CP2K_MM	8

Definition at line 156 of file glview.h.

mouse_status

enum mouse_status

Enumerator
CLICKED	0
RELEASED	1

Definition at line 198 of file glview.h.

radii

enum radii

Enumerator
VDW	0
INC	1
COV	2
ION	3

Definition at line 142 of file glview.h.

render

enum render

Enumerator
FILL	0
LINE	1
PTS	2

Definition at line 182 of file glview.h.

representation

enum representation

Enumerator
ORTHOGRAPHIC	0
PERSPECTIVE	1

Definition at line 150 of file glview.h.

styles

enum styles

Enumerator
NONE	-1
BALL_AND_STICK	0
WIREFRAME	1
SPACEFILL	2
SPHERES	3
CYLINDERS	4
PUNT	5

Definition at line 171 of file glview.h.

texts

enum texts

Enumerator
SIMPLE_TEXT	0
BETTER_TEXT	1

Definition at line 232 of file glview.h.

Function Documentation

allocdGLfloat()

GLfloat ** allocdGLfloat ( int xal, int yal )

extern

allocate a GLfloat ** pointer

Parameters

xal	1st dimension size of the pointer to allocate
yal	2nd dimension size of the pointer to allocate

Definition at line 161 of file glview.c.

angle_2d()

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

extern

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 )

extern

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.

at_shift()

void at_shift ( atom * at, float * shift )

extern

modify atomic coordinates to display image in cell replica

Parameters

at	the atom
shift	the shift to apply

Definition at line 432 of file ogl_draw.c.

at_unshift()

void at_unshift ( atom * at, float * shift )

extern

correct atomic coordinates modified to display image in cell replica

Parameters

at	the atom
shift	the shift to correct

Definition at line 447 of file ogl_draw.c.

center_this_molecule()

void center_this_molecule

(

glwin *

view

)

center atomic coordinates around (0,0,0) and refresh shaders

Parameters

view	the target glwin

Definition at line 1522 of file glview.c.

check_label_numbers()

int check_label_numbers ( project * this_proj, int types )

extern

check how many atom label(s) are visible

Parameters

this_proj	the target project
types	0 = atoms, 1 = clones, 2 = all

Definition at line 1040 of file popup.c.

cleaning_shaders()

void cleaning_shaders ( glwin * view, int shader )

extern

re-initialize an OpenGL shader

Parameters

view	the target glwin
shader	the shader to initialize

Definition at line 695 of file ogl_shading.c.

create_atom()

gboolean create_atom ( GLUquadricObj * quadric, int aid, int ac, int sp, int sel )

extern

create_axis_matrices()

mat4_t create_axis_matrices ( int type )

extern

create axis OpenGL rendering matrices

Parameters

type	axis type (standard: 0, atom edition viewer axis: 1)

Definition at line 101 of file d_axis.c.

create_bond()

gboolean create_bond ( int ac, int bid, int ba, int bb, int sel, double length )

extern

create_label_matrices()

mat4_t create_label_matrices ( )

extern

create label projection matrices

Definition at line 56 of file d_label.c.

debug_image()

void debug_image ( image img, int i )

extern

dihedral_3d()

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

extern

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 )

extern

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 )

extern

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.

draw()

void draw ( glwin * view )

extern

main drawing subroutine for the OpenGL window

Parameters

view	the target glwin

Definition at line 461 of file ogl_draw.c.

draw_atom()

void draw_atom ( atom at, double al )

extern

draw_atom_to_pick()

void draw_atom_to_pick ( atom at )

extern

draw_box()

void draw_box ( )

extern

draw_cylinder_bond()

void draw_cylinder_bond ( atom a, atom b, int bid, int ci, int bi )

extern

draw_cylinder_bond_to_pick()

void draw_cylinder_bond_to_pick ( atom a, atom b, int bid )

extern

draw_rings_gl()

void draw_rings_gl ( int se, int ge, int ta, int id )

extern

draw_vertices()

void draw_vertices ( int id )

extern

Draw OpenGL shader program.

Parameters

id	the ID of the program to render

Definition at line 1028 of file ogl_shading.c.

draw_wireframe_bond()

void draw_wireframe_bond ( atom a, atom b, int ci, int bi )

extern

duplicate_atom()

atom * duplicate_atom ( atom * at )

extern

copy (partially) an atom data structure

Parameters

at	the atom to copy

Definition at line 396 of file ogl_draw.c.

free_this_search_data()

atom_search * free_this_search_data ( atom_search * this_search )

extern

free atom search data structure

Parameters

this_search

the data to free

Definition at line 285 of file popup.c.

get_insertion_coordinates()

vec3_t get_insertion_coordinates ( glwin * view )

extern

get the insertion coordinates to insert object in the 3D window

Parameters

view	the target glwin

Definition at line 794 of file glwindow.c.

init_camera()

void init_camera	(	project *	this_proj,
		gboolean	get_depth )

init_color()

ColRGBA init_color	(	int	id,
		int	numid )

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.

init_default_shaders()

void init_default_shaders ( glwin * view )

extern

re-initialize the default OpenGL shaders

Parameters

view	the target glwin

Definition at line 729 of file ogl_shading.c.

init_opengl()

void init_opengl

(

)

initialize OpenGL rendering parameters

Definition at line 1390 of file glview.c.

init_shader_program()

glsl_program * init_shader_program ( int object, int object_id, const GLchar * vertex, const GLchar * geometry, const GLchar * fragment, GLenum type_of_vertices, int narray, int nunif, gboolean lightning, object_3d * obj )

extern

create an OpenGL shader program

Parameters

object	shader id (in enum shaders)
object_id	shader type in: GLSL_SPHERES, GLSL_POINTS, GLSL_LINES, GLSL_CYLINDERS, GLSL_CAPS, GLSL_POLYEDRA, GLSL_STRING
vertex	general shader: in the shaders defined in 'ogl_shaders.c'
geometry	geometry shader, if any: in the shaders defined in 'ogl_shaders.c'
fragment	color shader, if any: in the shaders defined in 'ogl_shaders.c'
type_of_vertices	type of vertices in: GL_POINTS, GL_LINES, GL_TRIANGLE GL_TRIANGLE_FAN, GL_TRIANGLE_STRIP
narray	number of vertices to allocate
nunif	number of uniform location(s) to allocate
lightning	use lightning (1/0)
obj	the object 3D to bind to the shader

Definition at line 533 of file ogl_shading.c.

init_shaders()

void init_shaders ( glwin * view )

extern

initialize all the OpenGL shaders

Parameters

view	the target glwin

Definition at line 757 of file ogl_shading.c.

is_coord_in_menu()

gboolean is_coord_in_menu ( int id, project * this_proj )

extern

is this coordination in a menu ?

Parameters

id	the coordination type
this_proj	the target project

Definition at line 74 of file m_coord.c.

on_expose()

G_MODULE_EXPORT gboolean on_expose	(	GtkWidget *	widg,
		cairo_t *	cr,
		gpointer	data )

OpenGL rendering widget expose event callback GTK3.

Parameters

widg	the GtkWidget sending the signal
cr	the cairo drawing context to use for the draw
data	the associated data pointer

Definition at line 1794 of file glview.c.

on_glwin_button_pressed()

G_MODULE_EXPORT void on_glwin_button_pressed	(	GtkGesture *	gesture,
		int	n_press,
		double	x,
		double	y,
		gpointer	data )

mouse button pressed signal on the OpenGL window

Parameters

gesture	the GtkGesture sending the signal
n_press	number of times it was pressed
x	x position
y	y position
data	the associated data pointer

Definition at line 975 of file glview.c.

on_glwin_button_released()

G_MODULE_EXPORT void on_glwin_button_released	(	GtkGesture *	gesture,
		int	n_press,
		double	x,
		double	y,
		gpointer	data )

mouse button released signal on the OpenGL window

Parameters

gesture	the GtkGesture sending the signal
n_press	number of times it was pressed
x	x position
y	y position
data	the associated data pointer

Definition at line 991 of file glview.c.

on_glwin_pointer_motion()

G_MODULE_EXPORT void on_glwin_pointer_motion	(	GtkEventControllerMotion *	motc,
		gdouble	x,
		gdouble	y,
		gpointer	data )

handle mouse motion event in the OpenGL window GTK4

Parameters

motc	The GtkEvenController sending the signal
x	x position
y	y position
data	the associated data pointer

Definition at line 727 of file glview.c.

on_glwin_pointer_scoll()

G_MODULE_EXPORT gboolean on_glwin_pointer_scoll	(	GtkEventControllerScroll *	event,
		gdouble	dx,
		gdouble	dy,
		gpointer	data )

handle mouse scroll event on the OpenGL window

Parameters

event	the GtkEventControllerScroll sending the signal
dx	x position
dy	y position
data	the associated data pointer

Definition at line 1055 of file glview.c.

on_lib_button_pressed()

G_MODULE_EXPORT void on_lib_button_pressed	(	GtkGesture *	gesture,
		int	n_press,
		double	x,
		double	y,
		gpointer	data )

handle mouse button press event on the molecular library OpenGL window (limited interaction)

Parameters

gesture	the GtkGesture sending the signal
n_press	number of times it was pressed
x	x position
y	y position
data	the associated data pointer

Definition at line 852 of file glview.c.

on_lib_button_released()

G_MODULE_EXPORT void on_lib_button_released	(	GtkGesture *	gesture,
		int	n_press,
		double	x,
		double	y,
		gpointer	data )

handle mouse button release event on the molecular library OpenGL window (limited interaction)

Parameters

gesture	the GtkGesture sending the signal
n_press	number of times it was pressed
x	x position
y	y position
data	the associated data pointer

Definition at line 868 of file glview.c.

on_realize()

G_MODULE_EXPORT void on_realize	(	GtkWidget *	widg,
		gpointer	data )

realize event for the OpenGL widget

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 1737 of file glview.c.

popup_main_menu()

void popup_main_menu ( glwin * view, double ptx, double pty )

extern

create the OpenGL window popup menu

Parameters

view	the target glwin
ptx	x position
pty	y position

Definition at line 4131 of file popup.c.

popup_selection()

void popup_selection ( glwin * view, double ptx, double pty, int spe, int mmod, int ati, int bti, int aoc )

extern

create the contextual popup menu, right click on atom or bond

Parameters

view	the target glwin
ptx	x position
pty	y position
spe	the picked chemical
mmod	mouse mode: 0 = analysis, 1 = edition
ati	1st atom
bti	2nd atom, if any
aoc	atom (0) or clone (1)

Definition at line 3666 of file popup.c.

prepare_axis()

void prepare_axis ( )

extern

prepare_cuboid()

void prepare_cuboid ( vec3_t position, int id )

extern

OpenGL 3D light object rendering.

Parameters

position	light position
id	shader number

Definition at line 433 of file d_box.c.

prepare_string()

void prepare_string ( char * text, int id, ColRGBA col, vec3_t pos, float lshift[3], atom * at, atom * bt, atom * ct )

extern

prepare a screen string to be rendered

Parameters

text	the text to render
id	the label id
col	the color
pos	the position
lshift	label position shift on x, y and z, if any
at	the 1st atom, if any (bond or angle measure string)
bt	the 2nd atom, if any (bond or angle measure string)
ct	the 3rd atom, if any (angle measure string)

Definition at line 691 of file ogl_text.c.

process_selected_atom()

void process_selected_atom ( project * this_proj, glwin * view, int id, int ac, int se, int pi )

extern

process selected atom

Parameters

this_proj	the target project
view	the target glwin
id	the atom id
ac	atom or clone (0/1)
se	set to 0 to ensure to remove a selected atom from the list and not to add label
pi	selection mode (0 = normal mode, 1 = edition mode)

Definition at line 514 of file selection.c.

re_create_all_md_shaders()

void re_create_all_md_shaders ( glwin * view )

extern

re-initialize all MD dependent OpenGL shaders

Parameters

view	the target glwin

Definition at line 651 of file ogl_shading.c.

re_create_md_shaders()

void re_create_md_shaders ( int nshaders, int shaders[nshaders], project * this_proj )

extern

re-initialize some MD dependent OpenGL shaders

Parameters

nshaders	the number of shader(s) to initialize
shaders	the list of shaders
this_proj	the target project

Definition at line 673 of file ogl_shading.c.

render_all_strings()

void render_all_strings ( int glsl, int id )

extern

render all string to be rendered for a label list

Parameters

glsl	shader id
id	label id

Definition at line 549 of file ogl_text.c.

reshape()

void reshape	(	glwin *	view,
		int	width,
		int	height,
		gboolean	use_ratio )

reshape (resize) the OpenGL window

Parameters

view	the target glwin
width	new with
height	new height
use_ratio	use widget rendering ratio

Definition at line 516 of file glview.c.

save_all_selections()

void save_all_selections ( glwin * view, int pi )

extern

save all selection data

Parameters

view	the target glwin
pi	selection mode (0 = normal mode, 1 = edition mode)

Definition at line 372 of file selection.c.

set_default_color()

ColRGBA set_default_color

(

int

z

)

pick the default color for an atom

Parameters

z	atomic number

Definition at line 187 of file glview.c.

setup_bonds()

void setup_bonds

(

glwin *

view

)

show_hide_clones()

G_MODULE_EXPORT void show_hide_clones ( GSimpleAction * action, GVariant * parameter, gpointer data )

extern

show/hide clones menu item callback

Parameters

action	the GAction sending the signal
parameter	GVariant parameter of the GAction, if any
data	the associated data pointer

Definition at line 139 of file m_clones.c.

sort()

void sort ( int dim, int * tab )

extern

sort, nim to max, a table by integer value

Parameters

dim	the number of value
tab	the table to sort

Definition at line 380 of file glview.c.

to_center_this_molecule()

G_MODULE_EXPORT void to_center_this_molecule	(	GtkWidget *	widg,
		gpointer	data )

center this molecule menu item callback GTK4

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 3974 of file popup.c.

update()

void update

(

glwin *

view

)

update the rendering of the OpenGL window

Parameters

view	the target glwin

Definition at line 439 of file glview.c.

update_all_menus()

void update_all_menus ( glwin * view, int nats )

extern

update all menus of the OpenGL window

Parameters

view	the target glwin
nats	the total number of atoms

Definition at line 337 of file glwindow.c.

update_all_selections()

void update_all_selections ( glwin * view, int pi )

extern

update the selection data: bonds, angles and dihedrals

Parameters

view	the target glwin
pi	selection mode (0 = normal mode, 1 = edition mode)

Definition at line 387 of file selection.c.

update_selection_list()

void update_selection_list ( atom_selection * at_list, atom * at, gboolean add )

extern

update the selection list adding or removing an atom

Parameters

at_list	target atom selection
at	atom
add	add or remove (1/0)

Definition at line 445 of file selection.c.

update_selection_tree()

void update_selection_tree ( glwin * view, int sid, int mid )

extern

update measurements tree view

Parameters

view	the target glwin
sid	the type of selection (0 = analysis mode, 1 = edition mode)
mid	the type of measurement (0 = bonds, 1 = angles, 2 = dihedrals)

Definition at line 381 of file w_measures.c.

zoom()

void zoom	(	glwin *	view,
		int	delta )

zoom in or zoom out in the OpenGL window

Parameters

view	the target glwin
delta	the zoom modification

Definition at line 1006 of file glview.c.

Variable Documentation

acolorm

int acolorm

extern

Definition at line 68 of file ogl_draw.c.

box_gl

box_info* box_gl

extern

Definition at line 64 of file ogl_draw.c.

cell_gl

cell_info* cell_gl

extern

Definition at line 65 of file ogl_draw.c.

coord_gl

coord_info* coord_gl

extern

Definition at line 63 of file ogl_draw.c.

field_object

int field_object

extern

Definition at line 979 of file dlp_field.c.

gColorID

int gColorID[3]

extern

Definition at line 60 of file d_atoms.c.

initlights

GLfloat initlights[4][4]

extern

nba

int nba

Definition at line 333 of file glview.h.

nbl

int nbl

Definition at line 333 of file glview.h.

nbs

int nbs

extern

Definition at line 176 of file d_atoms.c.

ogl_texture

GLenum ogl_texture

extern

Definition at line 114 of file glview.c.

pcolorm

int pcolorm

extern

Definition at line 69 of file ogl_draw.c.

pick

gboolean pick

extern

plot

image* plot

extern

Definition at line 66 of file ogl_draw.c.

proj_at

int proj_at

extern

Definition at line 62 of file ogl_draw.c.

proj_gl

project* proj_gl

extern

Definition at line 60 of file ogl_draw.c.

proj_sp

int proj_sp

extern

Definition at line 61 of file ogl_draw.c.

qual

int qual

extern

Definition at line 67 of file ogl_draw.c.

step

int step

extern

Definition at line 70 of file ogl_draw.c.

to_pop

gl_pop_info to_pop

extern

Definition at line 874 of file glview.c.

wingl

glwin* wingl

extern

Definition at line 59 of file ogl_draw.c.