atomes 1.1.14
atomes: an atomic scale modeling tool box
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Coordinations and polyhedra menus initialization
Coordinations and polyhedra GTK3 menus and menu items creation
Initialization of coordinations and polyhedra related data from Fortran90 information.
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#include "global.h"
#include "interface.h"
#include "bind.h"
#include "color_box.h"
#include "glwindow.h"
#include "glview.h"
Go to the source code of this file.
Functions | |
GtkWidget * | coord_menu (glwin *view) |
cairo_surface_t * | col_surface (double r, double g, double b, int x, int y) |
create a cairo sufrace painted with the appropriate color | |
G_MODULE_EXPORT void | coord_properties (GtkWidget *widg, gpointer data) |
create the environments configuration window | |
void | setup_molecules () |
int * | duplicate_int (int num, int *old_val) |
copy a list of int | |
ColRGBA | init_color (int id, int numid) |
initialize color based id number over total number of elements | |
void | gcid_spcolor_setup (int sp, int id) |
prepare color pointers | |
void | partial_geo_out_ (int *sp, int *id, int *ngsp, int coord[*ngsp]) |
partial coordination data from Fortran90 | |
void | allocate_partial_geo_ (int *sp, int *ngsp) |
allocate partial coordination(s) data | |
void | init_menu_coordinations_ (int *id, int *sp, int *ngsp, int coordt[*ngsp]) |
getting atomic coordinations data from Fortran90, and related GTK3 menu elements creation | |
void | init_menu_fragmol_ (int *id) |
getting fragment(s)/molecule(s) data from Fortran90, and related GTK3 menu elements creation | |
void | init_menurings_ (int *coo, int *ids, int *ngsp, int coordt[*ngsp], int *init) |
getting rings statistics data from Fortran90, and related GTK3 menu elements creation | |
void | init_opengl_coords (int id, int nt, int init) |
initialize data to store the coordination data | |
void | send_coord_opengl_ (int *id, int *num, int *cmin, int *cmax, int *nt, int coord[*num]) |
coordination information from Fortran90 | |
Variables | |
int ** | idgeo = NULL |
Coordinations and polyhedra menus initialization
Coordinations and polyhedra GTK3 menus and menu items creation
Initialization of coordinations and polyhedra related data from Fortran90 information.
Definition in file initcoord.c.
void allocate_partial_geo_ | ( | int * | sp, |
int * | ngsp ) |
allocate partial coordination(s) data
sp | the chemical species |
ngsp | the number of distinct coordination(s) for that chemical species |
Definition at line 322 of file initcoord.c.
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extern |
create a cairo sufrace painted with the appropriate color
r | red value |
g | green value |
b | blue value |
x | surface x size |
y | surface y size |
Definition at line 87 of file color_box.c.
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extern |
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extern |
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extern |
void gcid_spcolor_setup | ( | int | sp, |
int | id ) |
prepare color pointers
sp | the chemical species |
id | the coordination id |
Definition at line 131 of file initcoord.c.
ColRGBA init_color | ( | int | id, |
int | numid ) |
initialize color based id number over total number of elements
id | the id number |
numid | the total number of elements |
Definition at line 81 of file initcoord.c.
void init_menu_coordinations_ | ( | int * | id, |
int * | sp, | ||
int * | ngsp, | ||
int | coordt[ *ngsp] ) |
getting atomic coordinations data from Fortran90, and related GTK3 menu elements creation
id | 0 for total coordination(s), 1 for partial coordination(s) |
sp | the chemical species |
ngsp | the number of distinct coordination(s) for that chemical species |
coordt | the list of coordination(s) for that chemical species |
Definition at line 342 of file initcoord.c.
void init_menu_fragmol_ | ( | int * | id | ) |
getting fragment(s)/molecule(s) data from Fortran90, and related GTK3 menu elements creation
id | 2 for fragments, 3 for molecules |
Definition at line 478 of file initcoord.c.
void init_menurings_ | ( | int * | coo, |
int * | ids, | ||
int * | ngsp, | ||
int | coordt[ *ngsp], | ||
int * | init ) |
getting rings statistics data from Fortran90, and related GTK3 menu elements creation
coo | the coord type |
ids | the ring(s) type in [0-4], or 0 for the chains |
ngsp | the total number of distinct ring size(s) |
coordt | the list of ring size(s) with rings |
init | initialize some visual information (1/0) |
Definition at line 570 of file initcoord.c.
void init_opengl_coords | ( | int | id, |
int | nt, | ||
int | init ) |
initialize data to store the coordination data
id | the geometry id, in: [0-9] |
nt | total number of distinct coordination |
init | initialize some visual information (1/0) |
Definition at line 659 of file initcoord.c.
void partial_geo_out_ | ( | int * | sp, |
int * | id, | ||
int * | ngsp, | ||
int | coord[ *ngsp] ) |
partial coordination data from Fortran90
sp | the chemical species |
id | the partial coordination id |
ngsp | the number of chemical species |
coord | the list of partial coordination(s) for that chemical species and coordination id |
Definition at line 309 of file initcoord.c.
void send_coord_opengl_ | ( | int * | id, |
int * | num, | ||
int * | cmin, | ||
int * | cmax, | ||
int * | nt, | ||
int | coord[ *num] ) |
coordination information from Fortran90
id | the geometry id, in: [0-9] |
num | number of atom(s) |
cmin | min value for the total coordination |
cmax | max value for the total coordination |
nt | total number of distinct coordination |
coord | the values for each atom |
Definition at line 717 of file initcoord.c.
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extern |
int** idgeo = NULL |
Definition at line 71 of file initcoord.c.