atomes 1.1.14
atomes: an atomic scale modeling tool box
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Creation of the calculation dialogs. More...
#include "global.h"
#include "callbacks.h"
#include "interface.h"
#include "bind.h"
#include "project.h"
#include "workspace.h"
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 |
Creation of the calculation dialogs.
Definition in file calc_menu.c.
void calc_bonds | ( | GtkWidget * | vbox | ) |
creation of the bond calculation widgets
vbox | GtkWidget that will receive the data |
Definition at line 855 of file calc_menu.c.
void calc_gr_sq | ( | GtkWidget * | box, |
int | id ) |
creation of the g(r) / s(q) / s(k) / g(k) calculation widgets
box | GtkWidget that will receive the data |
id | the calculation id |
Definition at line 1185 of file calc_menu.c.
void calc_msd | ( | GtkWidget * | vbox | ) |
creation of the MSD calculation widgets
vbox | GtkWidget that will receive the data |
Definition at line 252 of file calc_menu.c.
void calc_rings | ( | GtkWidget * | vbox | ) |
creation of the rings statistics calculation widgets
vbox | GtkWidget that will receive the data |
Definition at line 474 of file calc_menu.c.
void calc_sph | ( | GtkWidget * | vbox | ) |
creation of the spherical harmonics calculation widgets
vbox | GtkWidget that will receive the data |
Definition at line 232 of file calc_menu.c.
GtkWidget * calc_window | ( | int | i | ) |
create a calculation window
i | the calculation id |
Definition at line 100 of file calc_menu.c.
GtkWidget * combox_rings | ( | gchar * | str, |
int | num, | ||
gchar * | list_item[num], | ||
int | id ) |
create a combo box for the rings statistics calculation
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.
G_MODULE_EXPORT void combox_rings_changed | ( | GtkComboBox * | box, |
gpointer | data ) |
change rings statistics calculation parameter
box | the GtkComboBox sending the signal |
data | the associated data pointer |
Definition at line 360 of file calc_menu.c.
G_MODULE_EXPORT void combox_tunit_changed | ( | GtkComboBox * | box, |
gpointer | data ) |
change time units
box | the GtkComboBox sending the signal |
data | the associated data pointer |
Definition at line 220 of file calc_menu.c.
G_MODULE_EXPORT void expand_opt | ( | GtkWidget * | exp, |
gpointer | data ) |
open expander actions
exp | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 921 of file calc_menu.c.
GtkWidget * hbox_note | ( | int | i, |
double | val ) |
foot note message box with some parameters
i | message id |
val | value to display |
Definition at line 895 of file calc_menu.c.
G_MODULE_EXPORT void on_calc_activate | ( | GtkWidget * | widg, |
gpointer | data ) |
create a calculation dialog - prepare the dialog
widg | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 1378 of file calc_menu.c.
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compute chains statistics
widg | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 299 of file chainscall.c.
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compute ring statistics
widg | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 439 of file ringscall.c.
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G_MODULE_EXPORT void on_show_curve_toolbox | ( | GtkWidget * | widg, |
gpointer | data ) |
show the curve toolboxes
widg | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 1019 of file calc_menu.c.
G_MODULE_EXPORT void on_smoother_released | ( | GtkButton * | button, |
gpointer | data ) |
smooth g(r), s(q), s(k) or g(k)
button | the button sending the signal |
data | the associated data pointer |
Definition at line 1039 of file calc_menu.c.
G_MODULE_EXPORT void run_on_calc_activate | ( | GtkDialog * | dial, |
gint | response_id, | ||
gpointer | data ) |
create a calculation dialog: run the dialog
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.
G_MODULE_EXPORT void run_toggle_bond | ( | GtkDialog * | info, |
gint | response_id, | ||
gpointer | data ) |
bond properties detailed saving: run the dialog
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.
G_MODULE_EXPORT void set_advanced_sq | ( | GtkEntry * | entry, |
gpointer | data ) |
set a s(k) calculation parameter
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 963 of file calc_menu.c.
G_MODULE_EXPORT void set_delta | ( | GtkEntry * | entry, |
gpointer | data ) |
set the number of delta between data points
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 145 of file calc_menu.c.
G_MODULE_EXPORT void set_max | ( | GtkEntry * | entry, |
gpointer | data ) |
set a maximum value
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 119 of file calc_menu.c.
G_MODULE_EXPORT void set_numa | ( | GtkEntry * | entry, |
gpointer | data ) |
set the rings/chains statistics parameter NUMA
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 300 of file calc_menu.c.
G_MODULE_EXPORT void set_sfact | ( | GtkEntry * | entry, |
gpointer | data ) |
set the Gaussian smoothing factor
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 994 of file calc_menu.c.
gboolean test_bonds | ( | ) |
is it safe to compute bond properties ?
Definition at line 727 of file calc_menu.c.
gboolean test_gr | ( | int | gr | ) |
is it safe to compute g(r) ?
gr | type of g(r): real space (GR) or FFT (GK) |
Definition at line 675 of file calc_menu.c.
gboolean test_msd | ( | ) |
is it safe to compute MSD ?
Definition at line 791 of file calc_menu.c.
gboolean test_rings | ( | ) |
is it safe to compute ring statistics ?
Definition at line 753 of file calc_menu.c.
gboolean test_sph | ( | ) |
is it safe to compute spherical harmonics ?
Definition at line 835 of file calc_menu.c.
gboolean test_sq | ( | int | sq | ) |
is it safe to compute s(q) ?
sq | type of s(q): FFT (1) or direct (SK) |
Definition at line 702 of file calc_menu.c.
G_MODULE_EXPORT void toggle_bond | ( | GtkToggleButton * | Button, |
gpointer | data ) |
activate bond properties detailed saving and prepare the dialog
Button | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 616 of file calc_menu.c.
G_MODULE_EXPORT void toggle_rings | ( | GtkToggleButton * | but, |
gpointer | data ) |
toggle a rings statistics calculation parameter
but | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 415 of file calc_menu.c.
GtkWidget* avbox |
Definition at line 909 of file calc_menu.c.
int avsize |
Definition at line 911 of file calc_menu.c.
GtkWidget* ba_entry[2] |
Definition at line 90 of file calc_menu.c.
GtkWidget* calc_win = NULL |
Definition at line 89 of file calc_menu.c.
GtkWidget* rings_box[2] |
Definition at line 135 of file calc_menu.c.
GtkWidget* rings_check[4] |
Definition at line 350 of file calc_menu.c.
GtkWidget* rings_entry[2] |
Definition at line 349 of file calc_menu.c.
int search_type |
Definition at line 91 of file calc_menu.c.
GtkWidget* smbox |
Definition at line 910 of file calc_menu.c.
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Definition at line 74 of file ringscall.c.