Functions to create the 'Environments configuration' window. More...

#include "global.h"
#include "interface.h"
#include "glview.h"
#include "glwindow.h"
#include "bind.h"

Include dependency graph for w_coord.c:

Functions
cairo_surface_t *	col_surface (double r, double g, double b, int x, int y)
	create a cairo sufrace painted with the appropriate color

G_MODULE_EXPORT void	set_color_map (GtkWidget *widg, gpointer data)
	set color map callback

G_MODULE_EXPORT void	cloned_poly (GtkWidget *widg, gpointer data)
	cloned polyehdra callback - GTK3

GtkWidget *	rings_tab (glwin *view, int g)
	create the ring(s) tab for the advanced environments window

GtkWidget *	chains_tab (glwin *view)
	create the chain(s) tab for the advanced environments window

G_MODULE_EXPORT void	toggled_show_hide_coord (GtkToggleButton *widg, gpointer data)
	toggle show / hide coordination callback GTK3

G_MODULE_EXPORT void	toggled_label_unlabel_coord (GtkToggleButton *widg, gpointer data)
	toggle label / unlabel coordination callback GTK3

G_MODULE_EXPORT void	toggled_select_unselect_coord (GtkToggleButton *widg, gpointer data)
	toggle select / unselect coordination callback GTK3

G_MODULE_EXPORT void	toggled_show_hide_poly (GtkToggleButton *widg, gpointer data)
	toggle show / hide polyhedra callback GTK3

G_MODULE_EXPORT void	set_color_frag_mol (GtkColorChooser *colob, gpointer data)
	set fragment or molecule color

G_MODULE_EXPORT void	set_color_coord (GtkColorChooser *colob, gpointer data)
	set coordination color

void	poly_alpha_has_changed (gpointer data, GLfloat v)
	change polyhedra opacity

G_MODULE_EXPORT gboolean	scroll_set_poly_alpha (GtkRange *range, GtkScrollType scroll, gdouble value, gpointer data)
	set polyhedra opacity - scroll callback

G_MODULE_EXPORT void	set_poly_alpha (GtkRange *range, gpointer data)
	set polyhedra opacity - range callback

gboolean	add_geo (int poly, project *this_proj, int g, int i, int j)
	test add this geometry data to the tree store or not ?

GtkWidget *	coord_tab (glwin *view, int geo, int poly)
	create coordination(s) and polyhedra tab

G_MODULE_EXPORT void	on_select_frag_mol (GtkCellRendererToggle cell_renderer, gchar string_path, gpointer data)
	tree store action on cell selection

void	set_frag_mol_cell_background (GtkListStore *store, GtkTreeIter iter, ColRGBA col)
	set tree store cell background color

void	add_this_frag_mol_to_search_tree (project *this_proj, int geo, int gid)
	add fragment or molecule in the search tree

G_MODULE_EXPORT void	run_set_this_frag_mol_color (GtkDialog *win, gint response_id, gpointer data)
	set fragment / molecule color - running the dialog

void	set_this_frag_mol_color (gpointer data, GtkTreePath *path)
	set fragment / molecule color - creating the dialog

G_MODULE_EXPORT void	to_set_this_frag_mol_color (GtkTreeView tree_view, GtkTreePath path, GtkTreeViewColumn *column, gpointer data)
	set fragment/molecule color tree view callback

GtkWidget *	create_frag_mol_tree (project *this_proj, int geo)
	create the fragment(s) / molecule(s) search tree store

G_MODULE_EXPORT void	update_frag_mol_search (GtkEntry *res, gpointer data)
	update the fragment(s) / molecule(s) search widget

GtkWidget *	create_frag_mol_search (project *this_proj, int geo)
	create the frgament(s)/molecule(s) search widget

GtkWidget *	fragmol_tab (glwin *view, int geo)
	create fragment(s) or molecule(s) tab

G_MODULE_EXPORT void	set_atom_color_map_box (GtkComboBox *box, gpointer data)
	change atom color map

G_MODULE_EXPORT void	set_poly_color_map_box (GtkComboBox *box, gpointer data)
	change polyhedra color map

G_MODULE_EXPORT void	on_cloned_poly_toggled (GtkToggleButton *Button, gpointer data)
	toggle show / hide cloned polyhedra callback GTK3

GtkWidget *	param_tab (glwin *view)
	environments configuration window parameters tab

G_MODULE_EXPORT void	close_coord (GtkButton *but, gpointer data)
	environments configuration window close button

G_MODULE_EXPORT gboolean	close_event_coord (GtkWidget widg, GdkEvent event, gpointer data)
	environments configuration window close event callback GTK3

GtkWidget *	advanced_coord_properties (glwin *view, int page)
	create the environments configuration window

int	get_page_from_geo_coord (glwin *view, int geo, int coord)
	find the proper page to display in the notebook

G_MODULE_EXPORT void	coord_properties (GtkWidget *widg, gpointer data)
	create the environments configuration window

Variables
int	selected_aspec

char *	text_maps [ATOM_MAPS]

int	frag_mol_status

Detailed Description

Functions to create the 'Environments configuration' 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 w_coord.c.

Function Documentation

◆ add_geo()

gboolean add_geo	(	int	poly,
		project *	this_proj,
		int	g,
		int	i,
		int	j )

test add this geometry data to the tree store or not ?

Parameters

poly	polyhedra (1 / 0)
this_proj	the target project
g	the target geometry, 0 = total coord, 1 = partial coord, 4-8 = ring(s), 9 = chain(s)
i	target chemical species or 0
j	geometry id number

Definition at line 469 of file w_coord.c.

◆ add_this_frag_mol_to_search_tree()

void add_this_frag_mol_to_search_tree	(	project *	this_proj,
		int	geo,
		int	gid )

add fragment or molecule in the search tree

Parameters

this_proj	the target project
geo	2 = fragment(s) or 3 = molecule(s)
gid	fragment or molecule id number to add

Definition at line 762 of file w_coord.c.

◆ advanced_coord_properties()

GtkWidget * advanced_coord_properties	(	glwin *	view,
		int	page )

create the environments configuration window

Parameters

view	the target glwin
page	the page of the notebook to display

Definition at line 1311 of file w_coord.c.

◆ chains_tab()

GtkWidget * chains_tab ( glwin * view )

extern

create the chain(s) tab for the advanced environments window

Parameters

view	the target glwin

Definition at line 784 of file w_chains.c.

◆ cloned_poly()

G_MODULE_EXPORT void cloned_poly	(	GtkWidget *	widg,
		gpointer	data )

extern

cloned polyehdra callback - GTK3

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 181 of file m_poly.c.

◆ close_coord()

G_MODULE_EXPORT void close_coord	(	GtkButton *	but,
		gpointer	data )

environments configuration window close button

Parameters

but	the GtkButton sending the signal
data	the associated data pointer

Definition at line 1268 of file w_coord.c.

◆ close_event_coord()

G_MODULE_EXPORT gboolean close_event_coord	(	GtkWidget *	widg,
		GdkEvent *	event,
		gpointer	data )

environments configuration window close event callback GTK3

Parameters

widg	the GtkWidget sending the signal
event	the GdkEvent triggering the signal
data	the associated data pointer

Definition at line 1296 of file w_coord.c.

◆ col_surface()

cairo_surface_t * col_surface	(	double	r,
		double	g,
		double	b,
		int	x,
		int	y )

extern

create a cairo sufrace painted with the appropriate color

Parameters

r	red value
g	green value
b	blue value
x	surface x size
y	surface y size

Definition at line 87 of file color_box.c.

◆ coord_properties()

G_MODULE_EXPORT void coord_properties	(	GtkWidget *	widg,
		gpointer	data )

create the environments configuration window

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 1483 of file w_coord.c.

◆ coord_tab()

GtkWidget * coord_tab	(	glwin *	view,
		int	geo,
		int	poly )

create coordination(s) and polyhedra tab

Parameters

view	the target glwin
geo	the target geometry, 0 = total coord, 1 = partial coord, 4-8 = ring(s), 9 = chain(s)
poly	polyhedra (1 / 0)

Definition at line 542 of file w_coord.c.

◆ create_frag_mol_search()

GtkWidget * create_frag_mol_search	(	project *	this_proj,
		int	geo )

create the frgament(s)/molecule(s) search widget

Parameters

this_proj	the target project
geo	2 = fragment(s) or 3 = molecule(s)

Definition at line 965 of file w_coord.c.

◆ create_frag_mol_tree()

GtkWidget * create_frag_mol_tree	(	project *	this_proj,
		int	geo )

create the fragment(s) / molecule(s) search tree store

Parameters

this_proj	the target project
geo	2 = fragment(s) or 3 = molecule(s)

Definition at line 896 of file w_coord.c.

◆ fragmol_tab()

GtkWidget * fragmol_tab	(	glwin *	view,
		int	geo )

create fragment(s) or molecule(s) tab

Parameters

view	the target glwin
geo	2 = fragment(s) or 3 = molecule(s)

Definition at line 1000 of file w_coord.c.

◆ get_page_from_geo_coord()

int get_page_from_geo_coord	(	glwin *	view,
		int	geo,
		int	coord )

find the proper page to display in the notebook

Parameters

view	the target glwin
geo	the type of environment
coord	coordination (1) or polyhedra (0)

Definition at line 1421 of file w_coord.c.

◆ on_cloned_poly_toggled()

G_MODULE_EXPORT void on_cloned_poly_toggled	(	GtkToggleButton *	Button,
		gpointer	data )

toggle show / hide cloned polyhedra callback GTK3

Parameters

Button	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 1125 of file w_coord.c.

◆ on_select_frag_mol()

G_MODULE_EXPORT void on_select_frag_mol	(	GtkCellRendererToggle *	cell_renderer,
		gchar *	string_path,
		gpointer	data )

tree store action on cell selection

Parameters

cell_renderer	the GtkCellRendererToggle sending the signal
string_path	the path in the tree view
data	the associated data pointer

Definition at line 692 of file w_coord.c.

◆ param_tab()

GtkWidget * param_tab ( glwin * view )

environments configuration window parameters tab

Parameters

view	the target glwin

Definition at line 1148 of file w_coord.c.

◆ poly_alpha_has_changed()

void poly_alpha_has_changed	(	gpointer	data,
		GLfloat	v )

change polyhedra opacity

Parameters

data	the associated data pointer
v	the new opacity value

Definition at line 414 of file w_coord.c.

◆ rings_tab()

GtkWidget * rings_tab	(	glwin *	view,
		int	rid )

extern

create the ring(s) tab for the advanced environments window

Parameters

view	the target glwin
rid	the type of ring(s), 0 = All, 1 = King, 2 = Guttman, 3 = Primtive, 4 = Strong

Definition at line 906 of file w_rings.c.

◆ run_set_this_frag_mol_color()

G_MODULE_EXPORT void run_set_this_frag_mol_color	(	GtkDialog *	win,
		gint	response_id,
		gpointer	data )

set fragment / molecule color - running the dialog

Parameters

win	the GtkDialog sending the signal
response_id	the response id
data	the associated data pointer

Definition at line 824 of file w_coord.c.

◆ scroll_set_poly_alpha()

G_MODULE_EXPORT gboolean scroll_set_poly_alpha	(	GtkRange *	range,
		GtkScrollType	scroll,
		gdouble	value,
		gpointer	data )

set polyhedra opacity - scroll callback

Parameters

range	the GtkRange sending the signal
scroll	the associated scroll type
value	the range value
data	the associated data pointer

Definition at line 439 of file w_coord.c.

◆ set_atom_color_map_box()

G_MODULE_EXPORT void set_atom_color_map_box	(	GtkComboBox *	box,
		gpointer	data )

change atom color map

Parameters

box	the GtkComboBox sending the signal
data	the associated data pointer

Definition at line 1068 of file w_coord.c.

◆ set_color_coord()

G_MODULE_EXPORT void set_color_coord	(	GtkColorChooser *	colob,
		gpointer	data )

set coordination color

Parameters

colob	the GtkColorChosser sending the signal
data	the associated data pointer

Definition at line 391 of file w_coord.c.

◆ set_color_frag_mol()

G_MODULE_EXPORT void set_color_frag_mol	(	GtkColorChooser *	colob,
		gpointer	data )

set fragment or molecule color

Parameters

colob	the GtkColorChooser sending the signal
data	the associated data pointer

Definition at line 370 of file w_coord.c.

◆ set_color_map()

G_MODULE_EXPORT void set_color_map	(	GtkWidget *	widg,
		gpointer	data )

extern

set color map callback

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 1011 of file m_map.c.

◆ set_frag_mol_cell_background()

void set_frag_mol_cell_background	(	GtkListStore *	store,
		GtkTreeIter	iter,
		ColRGBA	col )

set tree store cell background color

Parameters

store	the GtkListStore
iter	the GtkTreeIter target to update
col	the background color to set

Definition at line 740 of file w_coord.c.

◆ set_poly_alpha()

G_MODULE_EXPORT void set_poly_alpha	(	GtkRange *	range,
		gpointer	data )

set polyhedra opacity - range callback

Parameters

range	the GtkRange sending the signal
data	the associated data pointer

Definition at line 453 of file w_coord.c.

◆ set_poly_color_map_box()

G_MODULE_EXPORT void set_poly_color_map_box	(	GtkComboBox *	box,
		gpointer	data )

change polyhedra color map

Parameters

box	the GtkComboBox sending the signal
data	the associated data pointer

Definition at line 1091 of file w_coord.c.

◆ set_this_frag_mol_color()

void set_this_frag_mol_color	(	gpointer	data,
		GtkTreePath *	path )

set fragment / molecule color - creating the dialog

Parameters

data	the associated data pointer
path	the path in the tree view

Definition at line 849 of file w_coord.c.

◆ to_set_this_frag_mol_color()

G_MODULE_EXPORT void to_set_this_frag_mol_color	(	GtkTreeView *	tree_view,
		GtkTreePath *	path,
		GtkTreeViewColumn *	column,
		gpointer	data )

set fragment/molecule color tree view callback

Parameters

tree_view	the GtkTreeView sending the signal
path	the path in the tree view
column	the tree view column
data	the associated data pointer

Definition at line 878 of file w_coord.c.

◆ toggled_label_unlabel_coord()

G_MODULE_EXPORT void toggled_label_unlabel_coord	(	GtkToggleButton *	widg,
		gpointer	data )

toggle label / unlabel coordination callback GTK3

Parameters

widg	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 218 of file w_coord.c.

◆ toggled_select_unselect_coord()

G_MODULE_EXPORT void toggled_select_unselect_coord	(	GtkToggleButton *	widg,
		gpointer	data )

toggle select / unselect coordination callback GTK3

Parameters

widg	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 261 of file w_coord.c.

◆ toggled_show_hide_coord()

G_MODULE_EXPORT void toggled_show_hide_coord	(	GtkToggleButton *	widg,
		gpointer	data )

toggle show / hide coordination callback GTK3

Parameters

widg	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 117 of file w_coord.c.

◆ toggled_show_hide_poly()

G_MODULE_EXPORT void toggled_show_hide_poly	(	GtkToggleButton *	widg,
		gpointer	data )

toggle show / hide polyhedra callback GTK3

Parameters

widg	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 304 of file w_coord.c.

◆ update_frag_mol_search()

G_MODULE_EXPORT void update_frag_mol_search	(	GtkEntry *	res,
		gpointer	data )

update the fragment(s) / molecule(s) search widget

Parameters

res	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 940 of file w_coord.c.

Variable Documentation

◆ frag_mol_status

int frag_mol_status

Definition at line 96 of file w_coord.c.

◆ selected_aspec

int selected_aspec

extern

Definition at line 179 of file popup.c.

◆ text_maps

char* text_maps[ATOM_MAPS]

Initial value:

= {"Atomic species",
                               "Total",
                               "Partial",
                               "Fragment(s)",
                               "Molecule(s)"}

Definition at line 90 of file w_coord.c.

Functions

Variables

Detailed Description

Function Documentation

◆ add_geo()

◆ add_this_frag_mol_to_search_tree()

◆ advanced_coord_properties()

◆ chains_tab()

◆ cloned_poly()

◆ close_coord()

◆ close_event_coord()

◆ col_surface()

◆ coord_properties()

◆ coord_tab()

◆ create_frag_mol_search()

◆ create_frag_mol_tree()

◆ fragmol_tab()

◆ get_page_from_geo_coord()

◆ on_cloned_poly_toggled()

◆ on_select_frag_mol()

◆ param_tab()

◆ poly_alpha_has_changed()

◆ rings_tab()

◆ run_set_this_frag_mol_color()

◆ scroll_set_poly_alpha()

◆ set_atom_color_map_box()

◆ set_color_coord()

◆ set_color_frag_mol()

◆ set_color_map()

◆ set_frag_mol_cell_background()

◆ set_poly_alpha()

◆ set_poly_color_map_box()

◆ set_this_frag_mol_color()

◆ to_set_this_frag_mol_color()

◆ toggled_label_unlabel_coord()

◆ toggled_select_unselect_coord()

◆ toggled_show_hide_coord()

◆ toggled_show_hide_poly()

◆ update_frag_mol_search()

Variable Documentation

◆ frag_mol_status

◆ selected_aspec

◆ text_maps