atomes 1.1.14
atomes: an atomic scale modeling tool box
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Creation of the edition dialogs. More...
#include "global.h"
#include "bind.h"
#include "callbacks.h"
#include "interface.h"
#include "project.h"
#include "workspace.h"
#include "glwindow.h"
Go to the source code of this file.
Functions | |
void | update_cutoffs (project *this_proj) |
update bond cutoffs | |
void | cut_box (project *this_proj, GtkWidget *vbox) |
box cutoff entries | |
G_MODULE_EXPORT void | update_box (GtkEntry *entry, gpointer data) |
update lattice parameters | |
G_MODULE_EXPORT void | toggle_pbc (GtkToggleButton *Button, gpointer data) |
use PBC ? | |
G_MODULE_EXPORT void | toggle_frac (GtkToggleButton *Button, gpointer data) |
use fractional coordinates | |
G_MODULE_EXPORT void | update_vect (GtkEntry *entry, gpointer data) |
update lattice vector component | |
G_MODULE_EXPORT void | run_vectors (GtkDialog *win, gint response_id, gpointer data) |
lattice vectors: run the dialog | |
G_MODULE_EXPORT void | on_vectors_clicked (GtkButton *but, gpointer data) |
lattice vectors - prepare the dialog | |
void | edit_box (GtkWidget *vbox) |
creation of the edit cell widgets | |
G_MODULE_EXPORT void | update_chemistry (GtkEntry *entry, gpointer data) |
update chemical property | |
G_MODULE_EXPORT void | on_spec_changed (GtkComboBox *combo, gpointer data) |
change the chemical species | |
G_MODULE_EXPORT void | on_rad_changed (GtkComboBox *combo, gpointer data) |
change the type of atomic radius | |
G_MODULE_EXPORT void | toggle_xcor (GtkToggleButton *but, gpointer data) |
use X ray diffraction q coorection | |
void | edit_chem (GtkWidget *vbox) |
creation of the edit chemical properties widgets | |
gboolean | test_vol (double box[2][3], double vect[3][3]) |
is the cell properly described to use PBC ? | |
gboolean | test_pbc (int pbc, int frac, double box[2][3], double vect[3][3]) |
is the cell properly described ? | |
void | init_box_calc () |
initialize calculation possibilities based the periodicity | |
gboolean | has_box_changed () |
gboolean | have_vectors_changed () |
void | prep_box (int id) |
prepare the project depending on the changes to the MD box | |
void | test_chem () |
were chemical properties modified ? | |
gboolean | test_cutoffs () |
are all cutoffs described ? | |
void | edit_bonds (GtkWidget *vbox) |
creation of the edit bond cutoff widgets | |
G_MODULE_EXPORT void | run_on_edit_activate (GtkDialog *win, gint response_id, gpointer data) |
create an edition dialog: run the dialog | |
G_MODULE_EXPORT void | on_edit_activate (GtkWidget *widg, gpointer data) |
create an edition dialog - prepare the dialog | |
Variables | |
char * | box_p [2] ={"<b>Edges [Å]</b>", "<b>Angles [°]</b>"} |
char * | box_prop [2][3] |
char * | chem_lab [CHEM_PARAMS+2] |
char * | chem_rad [4] ={"Covalent", "Ionic", "van Der Waals", "In crystal"} |
char * | chem_unit [4] ={" g/mol", " Å", " fm", " e.u"} |
char * | edit_prop [4] ={"Chemistry and physics", "Box and periodicity", "Bond cutoffs", "Lattice vectors"} |
char * | vect_name [3] ={"<i>a</i>", "<i>b</i>", "<i>c</i>"} |
char * | vect_comp [3] ={"x", "y", "z"} |
GtkWidget * | frac_box |
GtkWidget * | spec_box |
GtkWidget * | rad_box |
GtkWidget * | chem_spec [2] |
GtkWidget * | chem_entry [CHEM_PARAMS-1] |
GtkWidget * | vect_entry [9] |
double * | tmp_chem [CHEM_PARAMS] |
double | tmp_box [2][3] |
double | tmp_vect [3][3] |
int | tmp_pbc |
int | tmp_frac |
int | tmp_xcor |
int | tmp_lat |
dint | t_box [9] |
double * | tmpcut |
Creation of the edition dialogs.
Definition in file edit_menu.c.
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extern |
box cutoff entries
this_proj | the target project |
vbox | the GtkWidget sending the signal |
Definition at line 155 of file w_cutoffs.c.
void edit_bonds | ( | GtkWidget * | vbox | ) |
creation of the edit bond cutoff widgets
vbox | GtkWidget that will receive the data |
Definition at line 706 of file edit_menu.c.
void edit_box | ( | GtkWidget * | vbox | ) |
creation of the edit cell widgets
vbox | GtkWidget that will receive the data |
Definition at line 282 of file edit_menu.c.
void edit_chem | ( | GtkWidget * | vbox | ) |
creation of the edit chemical properties widgets
vbox | GtkWidget that will receive the data |
Definition at line 425 of file edit_menu.c.
gboolean has_box_changed | ( | ) |
Definition at line 570 of file edit_menu.c.
gboolean have_vectors_changed | ( | ) |
Definition at line 588 of file edit_menu.c.
void init_box_calc | ( | ) |
initialize calculation possibilities based the periodicity
Definition at line 551 of file edit_menu.c.
G_MODULE_EXPORT void on_edit_activate | ( | GtkWidget * | widg, |
gpointer | data ) |
create an edition dialog - prepare the dialog
widg | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 835 of file edit_menu.c.
G_MODULE_EXPORT void on_rad_changed | ( | GtkComboBox * | combo, |
gpointer | data ) |
change the type of atomic radius
combo | the GtkComboBox sending the signal |
data | the associated data pointer |
Definition at line 375 of file edit_menu.c.
G_MODULE_EXPORT void on_spec_changed | ( | GtkComboBox * | combo, |
gpointer | data ) |
change the chemical species
combo | the GtkComboBox sending the signal |
data | the associated data pointer |
Definition at line 354 of file edit_menu.c.
G_MODULE_EXPORT void on_vectors_clicked | ( | GtkButton * | but, |
gpointer | data ) |
lattice vectors - prepare the dialog
but | the GtkButton sending the signal |
data | the associated data pointer |
Definition at line 241 of file edit_menu.c.
void prep_box | ( | int | id | ) |
prepare the project depending on the changes to the MD box
id |
Definition at line 613 of file edit_menu.c.
G_MODULE_EXPORT void run_on_edit_activate | ( | GtkDialog * | win, |
gint | response_id, | ||
gpointer | data ) |
create an edition dialog: run the dialog
win | the GtkDialog sending the signal |
response_id | the response id |
data | the associated data pointer |
Definition at line 742 of file edit_menu.c.
G_MODULE_EXPORT void run_vectors | ( | GtkDialog * | win, |
gint | response_id, | ||
gpointer | data ) |
lattice vectors: run the dialog
win | the GtkDialog sending the signal |
response_id | the response id |
data | the associated data pointer |
Definition at line 211 of file edit_menu.c.
void test_chem | ( | ) |
were chemical properties modified ?
Definition at line 650 of file edit_menu.c.
gboolean test_cutoffs | ( | ) |
are all cutoffs described ?
Definition at line 680 of file edit_menu.c.
gboolean test_pbc | ( | int | pbc, |
int | frac, | ||
double | box[2][3], | ||
double | vect[3][3] ) |
is the cell properly described ?
pbc | |
frac | fractional coordinates |
box | lattice parameters |
vect | lattice vectors |
Definition at line 533 of file edit_menu.c.
gboolean test_vol | ( | double | box[2][3], |
double | vect[3][3] ) |
is the cell properly described to use PBC ?
box | lattice parameters |
vect | lattice vectors |
Definition at line 498 of file edit_menu.c.
G_MODULE_EXPORT void toggle_frac | ( | GtkToggleButton * | Button, |
gpointer | data ) |
use fractional coordinates
Button | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 167 of file edit_menu.c.
G_MODULE_EXPORT void toggle_pbc | ( | GtkToggleButton * | Button, |
gpointer | data ) |
use PBC ?
Button | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 138 of file edit_menu.c.
G_MODULE_EXPORT void toggle_xcor | ( | GtkToggleButton * | but, |
gpointer | data ) |
use X ray diffraction q coorection
but | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 407 of file edit_menu.c.
G_MODULE_EXPORT void update_box | ( | GtkEntry * | entry, |
gpointer | data ) |
update lattice parameters
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 107 of file edit_menu.c.
G_MODULE_EXPORT void update_chemistry | ( | GtkEntry * | entry, |
gpointer | data ) |
update chemical property
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 336 of file edit_menu.c.
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extern |
update bond cutoffs
this_proj | the target project |
Definition at line 59 of file w_cutoffs.c.
G_MODULE_EXPORT void update_vect | ( | GtkEntry * | entry, |
gpointer | data ) |
update lattice vector component
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 195 of file edit_menu.c.
Definition at line 72 of file edit_menu.c.
char* box_prop[2][3] |
Definition at line 73 of file edit_menu.c.
GtkWidget* chem_entry[CHEM_PARAMS-1] |
Definition at line 87 of file edit_menu.c.
char* chem_lab[CHEM_PARAMS+2] |
Definition at line 75 of file edit_menu.c.
char* chem_rad[4] ={"Covalent", "Ionic", "van Der Waals", "In crystal"} |
Definition at line 78 of file edit_menu.c.
GtkWidget* chem_spec[2] |
Definition at line 86 of file edit_menu.c.
char* chem_unit[4] ={" g/mol", " Å", " fm", " e.u"} |
Definition at line 79 of file edit_menu.c.
char* edit_prop[4] ={"Chemistry and physics", "Box and periodicity", "Bond cutoffs", "Lattice vectors"} |
Definition at line 80 of file edit_menu.c.
GtkWidget* frac_box |
Definition at line 83 of file edit_menu.c.
GtkWidget* rad_box |
Definition at line 85 of file edit_menu.c.
GtkWidget* spec_box |
Definition at line 84 of file edit_menu.c.
dint t_box[9] |
Definition at line 94 of file edit_menu.c.
double tmp_box[2][3] |
Definition at line 90 of file edit_menu.c.
double* tmp_chem[CHEM_PARAMS] |
Definition at line 89 of file edit_menu.c.
int tmp_frac |
Definition at line 92 of file edit_menu.c.
int tmp_lat |
Definition at line 93 of file edit_menu.c.
int tmp_pbc |
Definition at line 92 of file edit_menu.c.
double tmp_vect[3][3] |
Definition at line 91 of file edit_menu.c.
int tmp_xcor |
Definition at line 93 of file edit_menu.c.
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extern |
Definition at line 50 of file w_cutoffs.c.
char* vect_comp[3] ={"x", "y", "z"} |
Definition at line 82 of file edit_menu.c.
GtkWidget* vect_entry[9] |
Definition at line 88 of file edit_menu.c.
Definition at line 81 of file edit_menu.c.