cell_edit.h File Reference

Function declarations for the cell edition window. More...

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

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Functions
void	allocatoms (project *this_proj)
	allocate project data
void	center_molecule (project *this_proj)
	center atomic coordinates around (0,0,0)
GtkWidget *	advanced_coord_properties (glwin *view, int page)
	create the environments configuration window
gboolean	run_distance_matrix (GtkWidget *widg, int calc, int up_ngb)
	compute distance matrix
void	translate (project *this_proj, int status, int axis, vec3_t trans)
	translate
void	process_selected_atom (project *this_proj, glwin *view, int id, int ac, int se, int pi)
	process selected atom
void	preserve_ogl_selection (glwin *view)
	copy the atom selection, so that it can be re-used once the input assistant is closed.
void	restore_ogl_selection (glwin *view)
	restore a saved atom selection
void	create_slab_lists (project *this_proj)
	prepare slab(s) OpenGL rendering
GtkWidget *	create_cell_entries (project *this_proj, int i)
	create the cell entry widgets
GtkWidget *	create_shift_box (project *this_proj)
	create shift box widgets
void	display_density (cell_edition *cell, double vol, double dens, double adens)
	create density information widgets
void	shift_it (vec3_t shift, int refresh, int proj)
	shift atomic coordinates
void	sens_superbut (project *this_proj)
	adjust 'Create super-cell' button sensitivity
void	invert_selection (project *this_proj)
	invert atom(s) selection
GtkWidget *	shift_center_tab (project *this_proj)
	create the shift cell center tab
GtkWidget *	add_extra_cell_tab (glwin *view)
	create the add cell(s) tab
GtkWidget *	supercell_tab (glwin *view)
GtkWidget *	adjust_density_tab (project *this_proj)
	create the density tab
GtkWidget *	cut_in_model (project *this_proj)
	create the cut slab tab
GtkWidget *	pixels_tab (project *this_proj)
void	wrapping (glwin *view)
	wrapping atomic coordinates
G_MODULE_EXPORT void	super_cell_but (GtkButton *but, gpointer data)
	create super cell callback
G_MODULE_EXPORT void	super_cell (GtkWidget *widg, gpointer data)
	create super cell menu callback GTK3
G_MODULE_EXPORT void	edition_win (GtkWidget *widg, gpointer data)
	create the cell edition window callback GTK3
atom_search *	allocate_atom_search (int proj, int action, int searchid, int tsize)
	allocate atom search data structure

Variables
gchar *	axis [3]
char *	box_prop [2][3]
gchar *	edit_names [7]
gchar *	mot [2][2]
int	is_selected
int	selected_aspec

Detailed Description

Function declarations for the cell edition 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 cell_edit.h.

Function Documentation

add_extra_cell_tab()

GtkWidget * add_extra_cell_tab

(

glwin *

view

)

create the add cell(s) tab

Parameters

view	the target glwin

Definition at line 81 of file cell_extra.c.

adjust_density_tab()

GtkWidget * adjust_density_tab

(

project *

this_proj

)

create the density tab

Parameters

this_proj

the target project

Definition at line 119 of file cell_density.c.

advanced_coord_properties()

GtkWidget * advanced_coord_properties ( glwin * view, int page )

extern

create the environments configuration window

Parameters

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

Definition at line 1310 of file w_coord.c.

allocate_atom_search()

atom_search * allocate_atom_search ( int proj, int action, int searchid, int tsize )

extern

allocate atom search data structure

Parameters

proj	the target project id
action	the edition action
searchid	the atom search id
tsize	the atom search object list size

Definition at line 392 of file atom_edit.c.

allocatoms()

void allocatoms ( project * this_proj )

extern

allocate project data

Parameters

this_proj

the target project

Definition at line 160 of file open_p.c.

center_molecule()

void center_molecule ( project * this_proj )

extern

center atomic coordinates around (0,0,0)

Parameters

this_proj

the target project

Definition at line 1441 of file glview.c.

create_cell_entries()

GtkWidget * create_cell_entries	(	project *	this_proj,
		int	i )

create the cell entry widgets

Parameters

this_proj	the target project
i	target parameter/action id (shift, cut, density)

Definition at line 402 of file cell_shift.c.

create_shift_box()

GtkWidget * create_shift_box

(

project *

this_proj

)

create shift box widgets

Parameters

this_proj

the target project

Definition at line 479 of file cell_shift.c.

create_slab_lists()

void create_slab_lists ( project * this_proj )

extern

prepare slab(s) OpenGL rendering

Parameters

this_proj

the target project

Definition at line 898 of file d_box.c.

cut_in_model()

GtkWidget * cut_in_model

(

project *

this_proj

)

create the cut slab tab

Parameters

this_proj

the target project

Definition at line 659 of file cell_cut.c.

display_density()

void display_density	(	cell_edition *	cell,
		double	vol,
		double	dens,
		double	adens )

create density information widgets

Parameters

cell	the target cell edition
vol	the volume
dens	the density
adens	the atomic density

Definition at line 54 of file cell_density.c.

edition_win()

G_MODULE_EXPORT void edition_win ( GtkWidget * widg, gpointer data )

extern

create the cell edition window callback GTK3

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 224 of file cell_edit.c.

invert_selection()

void invert_selection

(

project *

this_proj

)

invert atom(s) selection

Parameters

this_proj

the target project

Definition at line 404 of file cell_cut.c.

pixels_tab()

GtkWidget * pixels_tab

(

project *

this_proj

)

preserve_ogl_selection()

void preserve_ogl_selection ( glwin * view )

extern

copy the atom selection, so that it can be re-used once the input assistant is closed.

Parameters

view	the glwin the selection comes from

Definition at line 264 of file calc.c.

process_selected_atom()

void process_selected_atom ( project * this_proj, glwin * view, int id, int ac, int se, int pi )

extern

process selected atom

Parameters

this_proj	the target project
view	the target glwin
id	the atom id
ac	atom or clone (0/1)
se	set to 0 to ensure to remove a selected atom from the list and not to add label
pi	selection mode (0 = normal mode, 1 = edition mode)

Definition at line 514 of file selection.c.

restore_ogl_selection()

void restore_ogl_selection ( glwin * view )

extern

restore a saved atom selection

Parameters

view	the glwin to restore the selection to

Definition at line 218 of file calc.c.

run_distance_matrix()

gboolean run_distance_matrix ( GtkWidget * widg, int calc, int up_ngb )

extern

compute distance matrix

Parameters

widg	the GtkWidget sending the signal, if any
calc	the calculation that requires the analysis
up_ngb	update neighbors information (0 = no, 1 = yes)

Definition at line 310 of file bdcall.c.

sens_superbut()

void sens_superbut

(

project *

this_proj

)

adjust 'Create super-cell' button sensitivity

Parameters

this_proj

the target project

Definition at line 141 of file cell_super.c.

shift_center_tab()

GtkWidget * shift_center_tab

(

project *

this_proj

)

create the shift cell center tab

Parameters

this_proj

the target project

Definition at line 560 of file cell_shift.c.

shift_it()

void shift_it	(	vec3_t	shift,
		int	refresh,
		int	proj )

shift atomic coordinates

Parameters

shift	the shift vector
refresh	refresh rendering data
proj	the target project id

Definition at line 206 of file cell_shift.c.

super_cell()

G_MODULE_EXPORT void super_cell ( GtkWidget * widg, gpointer data )

extern

create super cell menu callback GTK3

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 322 of file cell_super.c.

super_cell_but()

G_MODULE_EXPORT void super_cell_but ( GtkButton * but, gpointer data )

extern

create super cell callback

Parameters

but	the GtkButton sending the signal
data	the associated data pointer

Definition at line 338 of file cell_super.c.

supercell_tab()

GtkWidget * supercell_tab

(

glwin *

view

)

translate()

void translate ( project * this_proj, int status, int axis, vec3_t trans )

extern

translate

Parameters

this_proj	the target project
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)
axis	0 = model, 1 = eye
trans	translation vector

Definition at line 230 of file atom_move.c.

wrapping()

void wrapping ( glwin * view )

extern

wrapping atomic coordinates

Parameters

view	the target glwin

Definition at line 498 of file cell_shift.c.

Variable Documentation

axis

gchar* axis[3]

extern

Definition at line 65 of file w_axis.c.

box_prop

char* box_prop[2][3]

extern

Definition at line 73 of file edit_menu.c.

edit_names

gchar* edit_names[7]

extern

Definition at line 48 of file cell_edit.c.

is_selected

int is_selected

extern

Definition at line 182 of file popup.c.

mot

gchar* mot[2][2]

extern

Definition at line 3293 of file popup.c.

selected_aspec

int selected_aspec

extern

Definition at line 180 of file popup.c.