atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions to create the crystal builder window. More...
#include "global.h"
#include "interface.h"
#include "glview.h"
#include "cbuild_edit.h"
#include "bind.h"
#include "project.h"
#include "workspace.h"
#include "readers.h"
Go to the source code of this file.
Functions | |
G_MODULE_EXPORT void | show_sg_info (GtkButton *but, gpointer data) |
void | get_origin (space_group *spg) |
get space group origin matrices | |
int | test_lattice (builder_edition *cbuilder, cell_info *cif_cell) |
test lattice parameters | |
int | build_crystal (gboolean visible, project *this_proj, gboolean to_wrap, gboolean show_clones, cell_info *cell, GtkWidget *widg) |
build crystal | |
int | get_crystal_id (int spg) |
get the bravais lattice id from space group id | |
int | get_bravais_img_id (int spg) |
get bravais image from space group id | |
gchar * | frac_string (gchar *init) |
get pango string for fraction string | |
gchar * | get_num_string (gchar *str) |
get description string for entry string | |
gchar * | get_so_string (space_group *spg, int id) |
get space group setting descrption string | |
GtkTreeModel * | so_combo_tree (space_group *spg) |
create the space group setting combo box tree model | |
GtkTreeModel * | sg_combo_tree (int csid, int bvid) |
create the space group combo box tree model | |
GtkTreeModel * | la_combo_tree () |
create the lattice system combo box tree model | |
int | get_sg_num (GtkComboBox *box) |
get space group number from active iter in tree model of combo box | |
void | adjust_lattice_parameters (builder_edition *cbuilder) |
adjust lattice parameters depending on space group | |
G_MODULE_EXPORT void | update_cb_vect (GtkEntry *entry, gpointer data) |
update lattice vector callback | |
G_MODULE_EXPORT void | update_cb_box (GtkEntry *entry, gpointer data) |
update lattice box parameter callback | |
GtkWidget * | prepare_lattice_grid (int type, builder_edition *cbuilder, glwin *glview) |
prepare the lattice parameters grid widget | |
G_MODULE_EXPORT void | set_lattice (GtkComboBox *box, gpointer data) |
change the lattice system | |
G_MODULE_EXPORT void | set_so (GtkComboBox *box, gpointer data) |
set space group setting | |
GtkWidget * | sg_info (int sg, gpointer data) |
create the space group information button | |
int | read_space_group (builder_edition *cbuilder, int spg) |
read space group N°spg data from file | |
int | get_group_id_from_name (gchar *sg_name) |
get space group id from name | |
void | adjust_so_combo (builder_edition *cbuilder) |
adjust the space group setting combo box to use pango markup | |
void | adjust_bv_img (builder_edition *cbuilder) |
adjust the bravais lattice image | |
void | adjust_lattice_constraints (builder_edition *cbuilder) |
adjust lattice constraints | |
G_MODULE_EXPORT void | set_sg (GtkComboBox *box, gpointer data) |
change space group | |
void | adjust_sg_combo (builder_edition *cbuilder, int cs, int bl) |
adjust the space group combo box to use pango markup | |
G_MODULE_EXPORT void | set_bl (GtkComboBox *box, gpointer data) |
change bravais lattice | |
GtkWidget * | create_bl_combo (int cs, gpointer data) |
create the bravais lattice combo box | |
G_MODULE_EXPORT void | set_cs (GtkComboBox *box, gpointer data) |
change the crystal system | |
G_MODULE_EXPORT void | set_wr (GtkToggleButton *but, gpointer data) |
wrap or not atomic coordinates after crystal building toggle callback GTK3 | |
G_MODULE_EXPORT void | set_shc (GtkToggleButton *but, gpointer data) |
show / hide clones after crystal building toggle callback GTK3 | |
G_MODULE_EXPORT void | add_cryst_cell (GtkSpinButton *res, gpointer data) |
add cell callback spin | |
G_MODULE_EXPORT void | apply_build (GtkButton *but, gpointer data) |
build crystall callback | |
G_MODULE_EXPORT void | close_build (GtkButton *but, gpointer data) |
close crystal builder and free associated data pointers | |
G_MODULE_EXPORT gboolean | delete_build (GtkWidget *widg, GdkEvent *event, gpointer data) |
crystal builder delete event callback GTK3 | |
G_MODULE_EXPORT void | toggle_occ (GtkToggleButton *but, gpointer data) |
occupancy toggle callback GTK3 | |
G_MODULE_EXPORT void | toggle_overlap (GtkToggleButton *Button, gpointer data) |
adjust overlapping toggle callback GTK3 | |
G_MODULE_EXPORT void | adjust_occupancy (GtkButton *but, gpointer data) |
adjust occupancy create dialog callback | |
GtkWidget * | builder_win (project *this_proj, gpointer data) |
create crystal builder window | |
void | prepare_crystal_builder (gpointer data) |
create the crystal builder | |
G_MODULE_EXPORT void | crystal_window (GtkWidget *widg, gpointer data) |
create the crystal build window callback GTK3 | |
Variables | |
gchar * | crystal_sytems [7] = {"Triclinic", "Monoclinic", "Othorhombic", "Tetragonal", "Trigonal", "Hexagonal", "Cubic"} |
gchar * | bravais_keys [7][4] |
gchar * | latt_info [7] |
int | nsg_bv [7] ={2, 13, 59, 68, 25, 27, 36} |
int | min_bv [7] ={0, 2, 15, 74, 142, 167, 194} |
dint | occp [5] |
Functions to create the crystal builder window.
Definition in file cbuild_edit.c.
G_MODULE_EXPORT void add_cryst_cell | ( | GtkSpinButton * | res, |
gpointer | data ) |
add cell callback spin
res | the GtkSpinButton sending the signal |
data | the associated data pointer |
Definition at line 1058 of file cbuild_edit.c.
void adjust_bv_img | ( | builder_edition * | cbuilder | ) |
adjust the bravais lattice image
cbuilder | the target builder edition |
Definition at line 844 of file cbuild_edit.c.
void adjust_lattice_constraints | ( | builder_edition * | cbuilder | ) |
adjust lattice constraints
cbuilder | the target builder edition |
Definition at line 863 of file cbuild_edit.c.
void adjust_lattice_parameters | ( | builder_edition * | cbuilder | ) |
adjust lattice parameters depending on space group
cbuilder | the target build edition |
Definition at line 464 of file cbuild_edit.c.
G_MODULE_EXPORT void adjust_occupancy | ( | GtkButton * | but, |
gpointer | data ) |
adjust occupancy create dialog callback
but | the GtkButton sending the signal |
data | the associated data pointer |
Definition at line 1195 of file cbuild_edit.c.
void adjust_sg_combo | ( | builder_edition * | cbuilder, |
int | cs, | ||
int | bl ) |
adjust the space group combo box to use pango markup
cbuilder | the target builder edition |
cs | the crystal system |
bl | the bravais lattice |
Definition at line 915 of file cbuild_edit.c.
void adjust_so_combo | ( | builder_edition * | cbuilder | ) |
adjust the space group setting combo box to use pango markup
cbuilder | the target builder edition |
Definition at line 821 of file cbuild_edit.c.
G_MODULE_EXPORT void apply_build | ( | GtkButton * | but, |
gpointer | data ) |
build crystall callback
but | the GtkButton sending the signal |
data | the associated data pointer |
Definition at line 1073 of file cbuild_edit.c.
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extern |
build crystal
visible | is the crystal builder window visible ? |
this_proj | the target project |
to_wrap | wrap or not atomic coordinates in the unit cell |
show_clones | show / hide clone(s) |
cell | the cell info that contains the crystal description |
widg | the GtkWidget sending the signal |
Definition at line 907 of file cbuild_action.c.
GtkWidget * builder_win | ( | project * | this_proj, |
gpointer | data ) |
create crystal builder window
this_proj | the target project |
data | the associated data pointer |
Definition at line 1276 of file cbuild_edit.c.
G_MODULE_EXPORT void close_build | ( | GtkButton * | but, |
gpointer | data ) |
close crystal builder and free associated data pointers
but | the GtkButton sending the signal |
data | the associated data pointer |
Definition at line 1092 of file cbuild_edit.c.
GtkWidget * create_bl_combo | ( | int | cs, |
gpointer | data ) |
create the bravais lattice combo box
cs | the associated crystal system |
data | the associated data pointer |
Definition at line 954 of file cbuild_edit.c.
G_MODULE_EXPORT void crystal_window | ( | GtkWidget * | widg, |
gpointer | data ) |
create the crystal build window callback GTK3
widg | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 1483 of file cbuild_edit.c.
G_MODULE_EXPORT gboolean delete_build | ( | GtkWidget * | widg, |
GdkEvent * | event, | ||
gpointer | data ) |
crystal builder delete event callback GTK3
widg | the GtkWidget sending the signal |
event | the GdkEvent triggering the signal |
data | the associated data pointer |
Definition at line 1122 of file cbuild_edit.c.
gchar * frac_string | ( | gchar * | init | ) |
get pango string for fraction string
init | the target fraction string |
Definition at line 259 of file cbuild_edit.c.
int get_bravais_img_id | ( | int | spg | ) |
get bravais image from space group id
spg | the target space group id |
Definition at line 173 of file cbuild_edit.c.
int get_crystal_id | ( | int | spg | ) |
get the bravais lattice id from space group id
spg | the target space group id |
Definition at line 127 of file cbuild_edit.c.
int get_group_id_from_name | ( | gchar * | sg_name | ) |
get space group id from name
sg_name | the space group string |
Definition at line 804 of file cbuild_edit.c.
gchar * get_num_string | ( | gchar * | str | ) |
get description string for entry string
str | the target string |
Definition at line 282 of file cbuild_edit.c.
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extern |
get space group origin matrices
spg | the target space group |
Definition at line 146 of file cbuild_action.c.
int get_sg_num | ( | GtkComboBox * | box | ) |
get space group number from active iter in tree model of combo box
box | the target GtkComboBox |
Definition at line 434 of file cbuild_edit.c.
gchar * get_so_string | ( | space_group * | spg, |
int | id ) |
get space group setting descrption string
spg | the target space group |
id | the space grop setting |
Definition at line 305 of file cbuild_edit.c.
GtkTreeModel * la_combo_tree | ( | ) |
create the lattice system combo box tree model
Definition at line 412 of file cbuild_edit.c.
void prepare_crystal_builder | ( | gpointer | data | ) |
create the crystal builder
data | the associated data pointer |
Definition at line 1448 of file cbuild_edit.c.
GtkWidget * prepare_lattice_grid | ( | int | type, |
builder_edition * | cbuilder, | ||
glwin * | glview ) |
prepare the lattice parameters grid widget
type | the type of lattice system |
cbuilder | the target builder edition |
glview | the target glwin |
Definition at line 637 of file cbuild_edit.c.
int read_space_group | ( | builder_edition * | cbuilder, |
int | spg ) |
read space group N°spg data from file
cbuilder | the target builder edition |
spg | the space group id |
Definition at line 771 of file cbuild_edit.c.
G_MODULE_EXPORT void set_bl | ( | GtkComboBox * | box, |
gpointer | data ) |
change bravais lattice
box | the GtkComboBox sending the signal |
data | the associated data pointer |
Definition at line 937 of file cbuild_edit.c.
G_MODULE_EXPORT void set_cs | ( | GtkComboBox * | box, |
gpointer | data ) |
change the crystal system
box | the GtkComboBox sending the signal |
data | the associated data pointer |
Definition at line 979 of file cbuild_edit.c.
G_MODULE_EXPORT void set_lattice | ( | GtkComboBox * | box, |
gpointer | data ) |
change the lattice system
box | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 709 of file cbuild_edit.c.
G_MODULE_EXPORT void set_sg | ( | GtkComboBox * | box, |
gpointer | data ) |
change space group
box | the GtkComboBox sending the signal |
data | the associated data pointer |
Definition at line 880 of file cbuild_edit.c.
G_MODULE_EXPORT void set_shc | ( | GtkToggleButton * | but, |
gpointer | data ) |
show / hide clones after crystal building toggle callback GTK3
but | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 1039 of file cbuild_edit.c.
G_MODULE_EXPORT void set_so | ( | GtkComboBox * | box, |
gpointer | data ) |
set space group setting
box | the GtkComboBox sending the signal |
data | the associated data pointer |
Definition at line 728 of file cbuild_edit.c.
G_MODULE_EXPORT void set_wr | ( | GtkToggleButton * | but, |
gpointer | data ) |
wrap or not atomic coordinates after crystal building toggle callback GTK3
but | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 1009 of file cbuild_edit.c.
GtkTreeModel * sg_combo_tree | ( | int | csid, |
int | bvid ) |
create the space group combo box tree model
csid | the crystal system |
bvid | the bravais lattice |
Definition at line 355 of file cbuild_edit.c.
GtkWidget * sg_info | ( | int | sg, |
gpointer | data ) |
create the space group information button
sg | space group id |
data | the associated data pointer |
Definition at line 753 of file cbuild_edit.c.
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extern |
GtkTreeModel * so_combo_tree | ( | space_group * | spg | ) |
create the space group setting combo box tree model
spg | the target space group |
Definition at line 324 of file cbuild_edit.c.
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extern |
test lattice parameters
cbuilder | the builder edition with the lattice parameters |
cif_cell | the cell information when testing CIF file |
Definition at line 312 of file cbuild_action.c.
G_MODULE_EXPORT void toggle_occ | ( | GtkToggleButton * | but, |
gpointer | data ) |
occupancy toggle callback GTK3
but | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 1150 of file cbuild_edit.c.
G_MODULE_EXPORT void toggle_overlap | ( | GtkToggleButton * | Button, |
gpointer | data ) |
adjust overlapping toggle callback GTK3
Button | the GtkToggleButton sending the signal |
data | the associated data pointer |
Definition at line 1176 of file cbuild_edit.c.
G_MODULE_EXPORT void update_cb_box | ( | GtkEntry * | entry, |
gpointer | data ) |
update lattice box parameter callback
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 616 of file cbuild_edit.c.
G_MODULE_EXPORT void update_cb_vect | ( | GtkEntry * | entry, |
gpointer | data ) |
update lattice vector callback
entry | the GtkEntry sending the signal |
data | the associated data pointer |
Definition at line 599 of file cbuild_edit.c.
gchar* bravais_keys[7][4] |
Definition at line 102 of file cbuild_edit.c.
gchar* crystal_sytems[7] = {"Triclinic", "Monoclinic", "Othorhombic", "Tetragonal", "Trigonal", "Hexagonal", "Cubic"} |
Definition at line 101 of file cbuild_edit.c.
gchar* latt_info[7] |
Definition at line 110 of file cbuild_edit.c.
int min_bv[7] ={0, 2, 15, 74, 142, 167, 194} |
Definition at line 118 of file cbuild_edit.c.
int nsg_bv[7] ={2, 13, 59, 68, 25, 27, 36} |
Definition at line 117 of file cbuild_edit.c.
dint occp[5] |
Definition at line 1129 of file cbuild_edit.c.