edit_menu.c File Reference

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"
#include "preferences.h"

Include dependency graph for edit_menu.c:

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] ={i18n("<b>Edges [&#xC5;]</b>"), i18n("<b>Angles [&#xB0;]</b>")}
char *	box_prop [2][3]
char *	edit_prop [4] ={i18n("Chemistry and physics"), i18n("Box and periodicity"), i18n("Bond cutoffs"), i18n("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_lattice [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

Detailed Description

Creation of the edition 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 edit_menu.c.

Function Documentation

cut_box()

void cut_box ( project * this_proj, GtkWidget * vbox )

extern

box cutoff entries

Parameters

this_proj	the target project
vbox	the GtkWidget sending the signal

Definition at line 155 of file w_cutoffs.c.

edit_bonds()

void edit_bonds

(

GtkWidget *

vbox

)

creation of the edit bond cutoff widgets

Parameters

vbox	the GtkWidget to store the data

Definition at line 712 of file edit_menu.c.

edit_box()

void edit_box

(

GtkWidget *

vbox

)

creation of the edit cell widgets

Parameters

vbox	GtkWidget that will receive the data

Definition at line 270 of file edit_menu.c.

edit_chem()

void edit_chem

(

GtkWidget *

vbox

)

creation of the edit chemical properties widgets

Parameters

vbox	GtkWidget that will receive the data

Definition at line 409 of file edit_menu.c.

has_box_changed()

gboolean has_box_changed

(

)

Definition at line 568 of file edit_menu.c.

have_vectors_changed()

gboolean have_vectors_changed

(

)

Definition at line 588 of file edit_menu.c.

init_box_calc()

void init_box_calc

(

)

initialize calculation possibilities based the periodicity

Definition at line 541 of file edit_menu.c.

on_edit_activate()

G_MODULE_EXPORT void on_edit_activate	(	GtkWidget *	widg,
		gpointer	data )

create an edition dialog - prepare the dialog

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 865 of file edit_menu.c.

on_rad_changed()

G_MODULE_EXPORT void on_rad_changed	(	GtkComboBox *	combo,
		gpointer	data )

change the type of atomic radius

Parameters

combo	the GtkComboBox sending the signal
data	the associated data pointer

Definition at line 363 of file edit_menu.c.

on_spec_changed()

G_MODULE_EXPORT void on_spec_changed	(	GtkComboBox *	combo,
		gpointer	data )

change the chemical species

Parameters

combo	the GtkComboBox sending the signal
data	the associated data pointer

Definition at line 342 of file edit_menu.c.

on_vectors_clicked()

G_MODULE_EXPORT void on_vectors_clicked	(	GtkButton *	but,
		gpointer	data )

lattice vectors - prepare the dialog

Parameters

but	the GtkButton sending the signal
data	the associated data pointer

Definition at line 229 of file edit_menu.c.

prep_box()

void prep_box

(

int

id

)

prepare the project depending on the changes to the MD box

Parameters

id

Definition at line 613 of file edit_menu.c.

run_on_edit_activate()

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

create an edition dialog: run the dialog

Parameters

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

Definition at line 772 of file edit_menu.c.

run_vectors()

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

lattice vectors: run the dialog

Parameters

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

Definition at line 199 of file edit_menu.c.

test_chem()

void test_chem

(

)

were chemical properties modified ?

Definition at line 652 of file edit_menu.c.

test_cutoffs()

gboolean test_cutoffs

(

)

are all cutoffs described ?

Definition at line 686 of file edit_menu.c.

test_pbc()

gboolean test_pbc	(	int	pbc,
		int	frac,
		double	box[2][3],
		double	vect[3][3] )

is the cell properly described ?

Parameters

pbc
frac	fractional coordinates
box	lattice parameters
vect	lattice vectors

Definition at line 523 of file edit_menu.c.

test_vol()

gboolean test_vol	(	double	box[2][3],
		double	vect[3][3] )

is the cell properly described to use PBC ?

Parameters

box	lattice parameters
vect	lattice vectors

Definition at line 488 of file edit_menu.c.

toggle_frac()

G_MODULE_EXPORT void toggle_frac	(	GtkToggleButton *	Button,
		gpointer	data )

use fractional coordinates

Parameters

Button	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 159 of file edit_menu.c.

toggle_pbc()

G_MODULE_EXPORT void toggle_pbc	(	GtkToggleButton *	Button,
		gpointer	data )

use PBC ?

Parameters

Button	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 134 of file edit_menu.c.

toggle_xcor()

G_MODULE_EXPORT void toggle_xcor	(	GtkToggleButton *	but,
		gpointer	data )

use X ray diffraction q coorection

Parameters

but	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 395 of file edit_menu.c.

update_box()

G_MODULE_EXPORT void update_box	(	GtkEntry *	entry,
		gpointer	data )

update lattice parameters

Parameters

entry	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 103 of file edit_menu.c.

update_chemistry()

G_MODULE_EXPORT void update_chemistry	(	GtkEntry *	entry,
		gpointer	data )

update chemical property

Parameters

entry	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 324 of file edit_menu.c.

update_cutoffs()

void update_cutoffs ( project * this_proj )

extern

update bond cutoffs

Parameters

this_proj

the target project

Definition at line 59 of file w_cutoffs.c.

update_vect()

G_MODULE_EXPORT void update_vect	(	GtkEntry *	entry,
		gpointer	data )

update lattice vector component

Parameters

entry	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 183 of file edit_menu.c.

Variable Documentation

box_p

char* box_p[2] ={i18n("<b>Edges [&#xC5;]</b>"), i18n("<b>Angles [&#xB0;]</b>")}

Definition at line 73 of file edit_menu.c.

box_prop

char* box_prop[2][3]

Initial value:

={{"<b><i>a</i></b>", "<b><i>b</i></b>", "<b><i>c</i></b>"},
         {"alpha - &#x3B1;", "beta - &#x3B2;", "gamma - &#x263;"}}

Definition at line 74 of file edit_menu.c.

chem_entry

GtkWidget* chem_entry[CHEM_PARAMS-1]

Definition at line 83 of file edit_menu.c.

chem_spec

GtkWidget* chem_spec[2]

Definition at line 82 of file edit_menu.c.

edit_prop

char* edit_prop[4] ={i18n("Chemistry and physics"), i18n("Box and periodicity"), i18n("Bond cutoffs"), i18n("Lattice vectors")}

Definition at line 76 of file edit_menu.c.

frac_box

GtkWidget* frac_box

Definition at line 79 of file edit_menu.c.

rad_box

GtkWidget* rad_box

Definition at line 81 of file edit_menu.c.

spec_box

GtkWidget* spec_box

Definition at line 80 of file edit_menu.c.

t_box

dint t_box[9]

Definition at line 90 of file edit_menu.c.

tmp_chem

double* tmp_chem[CHEM_PARAMS]

Definition at line 85 of file edit_menu.c.

tmp_frac

int tmp_frac

Definition at line 88 of file edit_menu.c.

tmp_lat

int tmp_lat

Definition at line 89 of file edit_menu.c.

tmp_lattice

double tmp_lattice[2][3]

Definition at line 86 of file edit_menu.c.

tmp_pbc

int tmp_pbc

Definition at line 88 of file edit_menu.c.

tmp_vect

double tmp_vect[3][3]

Definition at line 87 of file edit_menu.c.

tmp_xcor

int tmp_xcor

Definition at line 89 of file edit_menu.c.

tmpcut

double* tmpcut

extern

Definition at line 50 of file w_cutoffs.c.

vect_comp

char* vect_comp[3] ={"x", "y", "z"}

Definition at line 78 of file edit_menu.c.

vect_entry

GtkWidget* vect_entry[9]

Definition at line 84 of file edit_menu.c.

vect_name

char* vect_name[3] ={"<i>a</i>", "<i>b</i>", "<i>c</i>"}

Definition at line 77 of file edit_menu.c.