Creation of the calculation dialogs. More...

#include "global.h"
#include "callbacks.h"
#include "interface.h"
#include "bind.h"
#include "project.h"
#include "workspace.h"

Include dependency graph for calc_menu.c:

Go to the source code of this file.

Functions
G_MODULE_EXPORT void	on_calc_gr_released (GtkWidget *widg, gpointer data)
	compute g(r)

G_MODULE_EXPORT void	on_calc_gq_released (GtkWidget *widg, gpointer data)
	compute g(k)

G_MODULE_EXPORT void	on_calc_sq_released (GtkWidget *widg, gpointer data)
	compute s(q) / s(k)

G_MODULE_EXPORT void	on_calc_sk_released (GtkWidget *widg, gpointer data)
	compute s(q) / s(k)

G_MODULE_EXPORT void	on_calc_rings_released (GtkWidget *widg, gpointer data)
	compute ring statistics

G_MODULE_EXPORT void	on_calc_chains_released (GtkWidget *widg, gpointer data)
	compute chains statistics

G_MODULE_EXPORT void	on_calc_msd_released (GtkWidget *widg, gpointer data)
	compute MSD

G_MODULE_EXPORT void	on_calc_sph_released (GtkWidget *widg, gpointer data)
	compute spherical harmonics

GtkWidget *	calc_window (int i)
	create a calculation window

G_MODULE_EXPORT void	set_max (GtkEntry *entry, gpointer data)
	set a maximum value

G_MODULE_EXPORT void	set_delta (GtkEntry *entry, gpointer data)
	set the number of delta between data points

G_MODULE_EXPORT void	combox_tunit_changed (GtkComboBox *box, gpointer data)
	change time units

void	calc_sph (GtkWidget *vbox)
	creation of the spherical harmonics calculation widgets

void	calc_msd (GtkWidget *vbox)
	creation of the MSD calculation widgets

G_MODULE_EXPORT void	set_numa (GtkEntry *entry, gpointer data)
	set the rings/chains statistics parameter NUMA

GtkWidget *	combox_rings (gchar str, int num, gchar list_item[num], int id)
	create a combo box for the rings statistics calculation

G_MODULE_EXPORT void	combox_rings_changed (GtkComboBox *box, gpointer data)
	change rings statistics calculation parameter

G_MODULE_EXPORT void	toggle_rings (GtkToggleButton *but, gpointer data)
	toggle a rings statistics calculation parameter

void	calc_rings (GtkWidget *vbox)
	creation of the rings statistics calculation widgets

G_MODULE_EXPORT void	run_toggle_bond (GtkDialog *info, gint response_id, gpointer data)
	bond properties detailed saving: run the dialog

G_MODULE_EXPORT void	toggle_bond (GtkToggleButton *Button, gpointer data)
	activate bond properties detailed saving and prepare the dialog

gboolean	test_gr (int gr)
	is it safe to compute g(r) ?

gboolean	test_sq (int sq)
	is it safe to compute s(q) ?

gboolean	test_bonds ()
	is it safe to compute bond properties ?

gboolean	test_rings ()
	is it safe to compute ring statistics ?

gboolean	test_msd ()
	is it safe to compute MSD ?

gboolean	test_sph ()
	is it safe to compute spherical harmonics ?

void	calc_bonds (GtkWidget *vbox)
	creation of the bond calculation widgets

GtkWidget *	hbox_note (int i, double val)
	foot note message box with some parameters

G_MODULE_EXPORT void	expand_opt (GtkWidget *exp, gpointer data)
	open expander actions

G_MODULE_EXPORT void	set_advanced_sq (GtkEntry *entry, gpointer data)
	set a s(k) calculation parameter

G_MODULE_EXPORT void	set_sfact (GtkEntry *entry, gpointer data)
	set the Gaussian smoothing factor

G_MODULE_EXPORT void	on_show_curve_toolbox (GtkWidget *widg, gpointer data)
	show the curve toolboxes

G_MODULE_EXPORT void	on_smoother_released (GtkButton *button, gpointer data)
	smooth g(r), s(q), s(k) or g(k)

void	calc_gr_sq (GtkWidget *box, int id)
	creation of the g(r) / s(q) / s(k) / g(k) calculation widgets

G_MODULE_EXPORT void	run_on_calc_activate (GtkDialog *dial, gint response_id, gpointer data)
	create a calculation dialog: run the dialog

G_MODULE_EXPORT void	on_calc_activate (GtkWidget *widg, gpointer data)
	create a calculation dialog - prepare the dialog

Variables
gboolean	toggled_rings

gchar *	calc_img [NCALCS-2]

GtkWidget *	calc_win = NULL

GtkWidget *	ba_entry [2]

int	search_type

GtkWidget *	rings_box [2]

GtkWidget *	rings_entry [2]

GtkWidget *	rings_check [4]

GtkWidget *	avbox

GtkWidget *	smbox

int	avsize

Detailed Description

Creation of the calculation dialogs.

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 calc_menu.c.

Function Documentation

◆ calc_bonds()

void calc_bonds ( GtkWidget * vbox )

creation of the bond calculation widgets

Parameters

vbox	GtkWidget that will receive the data

Definition at line 855 of file calc_menu.c.

◆ calc_gr_sq()

void calc_gr_sq	(	GtkWidget *	box,
		int	id )

creation of the g(r) / s(q) / s(k) / g(k) calculation widgets

Parameters

box	GtkWidget that will receive the data
id	the calculation id

Definition at line 1185 of file calc_menu.c.

◆ calc_msd()

void calc_msd ( GtkWidget * vbox )

creation of the MSD calculation widgets

Parameters

vbox	GtkWidget that will receive the data

Definition at line 252 of file calc_menu.c.

◆ calc_rings()

void calc_rings ( GtkWidget * vbox )

creation of the rings statistics calculation widgets

Parameters

vbox	GtkWidget that will receive the data

Definition at line 474 of file calc_menu.c.

◆ calc_sph()

void calc_sph ( GtkWidget * vbox )

creation of the spherical harmonics calculation widgets

Parameters

vbox	GtkWidget that will receive the data

Definition at line 232 of file calc_menu.c.

◆ calc_window()

GtkWidget * calc_window ( int i )

create a calculation window

Parameters

i	the calculation id

Definition at line 100 of file calc_menu.c.

◆ combox_rings()

GtkWidget * combox_rings	(	gchar *	str,
		int	num,
		gchar *	list_item[num],
		int	id )

create a combo box for the rings statistics calculation

Parameters

str	label of the combo box
num	number of values to insert in the combo box
list_item	text data to insert in the combo boc
id	id of the box to create

Definition at line 336 of file calc_menu.c.

◆ combox_rings_changed()

G_MODULE_EXPORT void combox_rings_changed	(	GtkComboBox *	box,
		gpointer	data )

change rings statistics calculation parameter

Parameters

box	the GtkComboBox sending the signal
data	the associated data pointer

Definition at line 360 of file calc_menu.c.

◆ combox_tunit_changed()

G_MODULE_EXPORT void combox_tunit_changed	(	GtkComboBox *	box,
		gpointer	data )

change time units

Parameters

box	the GtkComboBox sending the signal
data	the associated data pointer

Definition at line 220 of file calc_menu.c.

◆ expand_opt()

G_MODULE_EXPORT void expand_opt	(	GtkWidget *	exp,
		gpointer	data )

open expander actions

Parameters

exp	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 921 of file calc_menu.c.

◆ hbox_note()

GtkWidget * hbox_note	(	int	i,
		double	val )

foot note message box with some parameters

Parameters

i	message id
val	value to display

Definition at line 895 of file calc_menu.c.

◆ on_calc_activate()

G_MODULE_EXPORT void on_calc_activate	(	GtkWidget *	widg,
		gpointer	data )

create a calculation dialog - prepare the dialog

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 1378 of file calc_menu.c.

◆ on_calc_chains_released()

G_MODULE_EXPORT void on_calc_chains_released	(	GtkWidget *	widg,
		gpointer	data )

extern

compute chains statistics

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 299 of file chainscall.c.

◆ on_calc_gq_released()

G_MODULE_EXPORT void on_calc_gq_released	(	GtkWidget *	widg,
		gpointer	data )

extern

compute g(k)

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 324 of file grcall.c.

◆ on_calc_gr_released()

G_MODULE_EXPORT void on_calc_gr_released	(	GtkWidget *	widg,
		gpointer	data )

extern

compute g(r)

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 199 of file grcall.c.

◆ on_calc_msd_released()

G_MODULE_EXPORT void on_calc_msd_released	(	GtkWidget *	widg,
		gpointer	data )

extern

compute MSD

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 153 of file msdcall.c.

◆ on_calc_rings_released()

G_MODULE_EXPORT void on_calc_rings_released	(	GtkWidget *	widg,
		gpointer	data )

extern

compute ring statistics

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 439 of file ringscall.c.

◆ on_calc_sk_released()

G_MODULE_EXPORT void on_calc_sk_released	(	GtkWidget *	widg,
		gpointer	data )

extern

compute s(q) / s(k)

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 244 of file sqcall.c.

◆ on_calc_sph_released()

G_MODULE_EXPORT void on_calc_sph_released	(	GtkWidget *	widg,
		gpointer	data )

extern

compute spherical harmonics

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 188 of file spcall.c.

◆ on_calc_sq_released()

G_MODULE_EXPORT void on_calc_sq_released	(	GtkWidget *	widg,
		gpointer	data )

extern

compute s(q) / s(k)

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 192 of file sqcall.c.

◆ on_show_curve_toolbox()

G_MODULE_EXPORT void on_show_curve_toolbox	(	GtkWidget *	widg,
		gpointer	data )

show the curve toolboxes

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 1019 of file calc_menu.c.

◆ on_smoother_released()

G_MODULE_EXPORT void on_smoother_released	(	GtkButton *	button,
		gpointer	data )

smooth g(r), s(q), s(k) or g(k)

Parameters

button	the button sending the signal
data	the associated data pointer

Definition at line 1039 of file calc_menu.c.

◆ run_on_calc_activate()

G_MODULE_EXPORT void run_on_calc_activate	(	GtkDialog *	dial,
		gint	response_id,
		gpointer	data )

create a calculation dialog: run the dialog

Parameters

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

Definition at line 1306 of file calc_menu.c.

◆ run_toggle_bond()

G_MODULE_EXPORT void run_toggle_bond	(	GtkDialog *	info,
		gint	response_id,
		gpointer	data )

bond properties detailed saving: run the dialog

Parameters

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

Definition at line 574 of file calc_menu.c.

◆ set_advanced_sq()

G_MODULE_EXPORT void set_advanced_sq	(	GtkEntry *	entry,
		gpointer	data )

set a s(k) calculation parameter

Parameters

entry	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 963 of file calc_menu.c.

◆ set_delta()

G_MODULE_EXPORT void set_delta	(	GtkEntry *	entry,
		gpointer	data )

set the number of delta between data points

Parameters

entry	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 145 of file calc_menu.c.

◆ set_max()

G_MODULE_EXPORT void set_max	(	GtkEntry *	entry,
		gpointer	data )

set a maximum value

Parameters

entry	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 119 of file calc_menu.c.

◆ set_numa()

G_MODULE_EXPORT void set_numa	(	GtkEntry *	entry,
		gpointer	data )

set the rings/chains statistics parameter NUMA

Parameters

entry	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 300 of file calc_menu.c.

◆ set_sfact()

G_MODULE_EXPORT void set_sfact	(	GtkEntry *	entry,
		gpointer	data )

set the Gaussian smoothing factor

Parameters

entry	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 994 of file calc_menu.c.

◆ test_bonds()

gboolean test_bonds ( )

is it safe to compute bond properties ?

Definition at line 727 of file calc_menu.c.

◆ test_gr()

gboolean test_gr ( int gr )

is it safe to compute g(r) ?

Parameters

gr	type of g(r): real space (GR) or FFT (GK)

Definition at line 675 of file calc_menu.c.

◆ test_msd()

gboolean test_msd ( )

is it safe to compute MSD ?

Definition at line 791 of file calc_menu.c.

◆ test_rings()

gboolean test_rings ( )

is it safe to compute ring statistics ?

Definition at line 753 of file calc_menu.c.

◆ test_sph()

gboolean test_sph ( )

is it safe to compute spherical harmonics ?

Definition at line 835 of file calc_menu.c.

◆ test_sq()

gboolean test_sq ( int sq )

is it safe to compute s(q) ?

Parameters

sq	type of s(q): FFT (1) or direct (SK)

Definition at line 702 of file calc_menu.c.

◆ toggle_bond()

G_MODULE_EXPORT void toggle_bond	(	GtkToggleButton *	Button,
		gpointer	data )

activate bond properties detailed saving and prepare the dialog

Parameters

Button	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 616 of file calc_menu.c.

◆ toggle_rings()

G_MODULE_EXPORT void toggle_rings	(	GtkToggleButton *	but,
		gpointer	data )

toggle a rings statistics calculation parameter

Parameters

but	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 415 of file calc_menu.c.

Variable Documentation

◆ avbox

GtkWidget* avbox

Definition at line 909 of file calc_menu.c.

◆ avsize

int avsize

Definition at line 911 of file calc_menu.c.

◆ ba_entry

GtkWidget* ba_entry[2]

Definition at line 90 of file calc_menu.c.

◆ calc_img

gchar* calc_img[NCALCS-2]

extern

Definition at line 104 of file gui.c.

◆ calc_win

GtkWidget* calc_win = NULL

Definition at line 89 of file calc_menu.c.

◆ rings_box

GtkWidget* rings_box[2]

Definition at line 135 of file calc_menu.c.

◆ rings_check

GtkWidget* rings_check[4]

Definition at line 350 of file calc_menu.c.

◆ rings_entry

GtkWidget* rings_entry[2]

Definition at line 349 of file calc_menu.c.

◆ search_type

int search_type

Definition at line 91 of file calc_menu.c.

◆ smbox

GtkWidget* smbox

Definition at line 910 of file calc_menu.c.

◆ toggled_rings

gboolean toggled_rings

extern

Definition at line 74 of file ringscall.c.

Functions

Variables

Detailed Description

Function Documentation

◆ calc_bonds()

◆ calc_gr_sq()

◆ calc_msd()

◆ calc_rings()

◆ calc_sph()

◆ calc_window()

◆ combox_rings()

◆ combox_rings_changed()

◆ combox_tunit_changed()

◆ expand_opt()

◆ hbox_note()

◆ on_calc_activate()

◆ on_calc_chains_released()

◆ on_calc_gq_released()

◆ on_calc_gr_released()

◆ on_calc_msd_released()

◆ on_calc_rings_released()

◆ on_calc_sk_released()

◆ on_calc_sph_released()

◆ on_calc_sq_released()

◆ on_show_curve_toolbox()

◆ on_smoother_released()

◆ run_on_calc_activate()

◆ run_toggle_bond()

◆ set_advanced_sq()

◆ set_delta()

◆ set_max()

◆ set_numa()

◆ set_sfact()

◆ test_bonds()

◆ test_gr()

◆ test_msd()

◆ test_rings()

◆ test_sph()

◆ test_sq()

◆ toggle_bond()

◆ toggle_rings()

Variable Documentation

◆ avbox

◆ avsize

◆ ba_entry

◆ calc_img

◆ calc_win

◆ rings_box

◆ rings_check

◆ rings_entry

◆ search_type

◆ smbox

◆ toggled_rings