atomes 1.1.14
atomes: an atomic scale modeling tool box
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initcoord.h
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1/* This file is part of the 'atomes' software
2
3'atomes' is free software: you can redistribute it and/or modify it under the terms
4of the GNU Affero General Public License as published by the Free Software Foundation,
5either version 3 of the License, or (at your option) any later version.
6
7'atomes' is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY;
8without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
9See the GNU General Public License for more details.
10
11You should have received a copy of the GNU Affero General Public License along with 'atomes'.
12If not, see <https://www.gnu.org/licenses/>
13
14Copyright (C) 2022-2024 by CNRS and University of Strasbourg */
15
22/*
23* This header file: 'initcoord.h'
24*
25* Contains:
26
27 - Function declarations to handle the atomic coordination data
28
29*/
30
31#ifdef GTK3
32void prep_all_coord_menus (glwin * view);
33void prep_all_ring_menus (glwin * view);
34#endif // GTK3
36void partial_geo_out_ (int * sp, int * id, int * ngsp, int coord[* ngsp]);
37void allocate_partial_geo_ (int * sp, int * ngsp);
38void init_menu_coordinations_ (int * id, int * sp, int * ngsp, int coordt[* ngsp]);
39void init_menu_fragmol_ (int * id);
40void init_menurings_ (int * coo, int * ids, int * ngsp, int coordt[* ngsp], int * init);
41void init_opengl_coords (int id, int nt, int init);
42void send_coord_opengl_ (int * id, int * num, int * cmin, int * cmax, int * nt, int coord[* num]);
void prep_all_coord_menus(glwin *view)
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
Definition initcoord.c:342
void send_coord_opengl_(int *id, int *num, int *cmin, int *cmax, int *nt, int coord[*num])
coordination information from Fortran90
Definition initcoord.c:717
void init_opengl_coords(int id, int nt, int init)
initialize data to store the coordination data
Definition initcoord.c:659
void init_menu_fragmol_(int *id)
getting fragment(s)/molecule(s) data from Fortran90, and related GTK3 menu elements creation
Definition initcoord.c:478
void set_advanced_bonding_menus(glwin *view)
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
Definition initcoord.c:570
void allocate_partial_geo_(int *sp, int *ngsp)
allocate partial coordination(s) data
Definition initcoord.c:322
void partial_geo_out_(int *sp, int *id, int *ngsp, int coord[*ngsp])
partial coordination data from Fortran90
Definition initcoord.c:309
Definition glwin.h:875