1 /*This file is a part of luscus project*/
2 /*Licensed under the Academic Free License version 3.0*/
3 #include<stdio.h>
4 #include<stdlib.h>
5 #include<gtk/gtk.h>
6 #include"luscus.h"
7 #include"gv.h"
8 #include"gv_functions.h"
9
10 #ifdef EBUG
11
12 char *rcdir;
13 int number_of_elements;
14 INPUT_DATA Input_Data;
15 MOL *mol;
16 MOL *m;
17 int n_geometries;
18 long *geo_file_position;
19 int igeo;
20 int accept_keys = 1;
21
22 ELEM_DATA *e;
23 int n_input_types;
24 INPUT_FORMAT *input_filetypes;
25 int n_fragments;
26 FRAG_DATA *frag;
27 int n_watched = 0;
28 WATCH *watch = NULL;
29
print_debug_data(void)30 void print_debug_data(void)
31 {
32 int i;
33 printf("Input_Data:\n");
34 printf("Hide atoms %d \n", Input_Data.hide_atoms);
35 printf("Hide bonds %d \n", Input_Data.hide_bonds);
36 printf("Transparency %f \n", Input_Data.extracolor[3]);
37 printf("Background color Red %f \n", Input_Data.background_color[0]);
38 printf("Background color Green %f \n", Input_Data.background_color[1]);
39 printf("Background color Blue %f \n", Input_Data.background_color[2]);
40
41 printf("Extra color Red %f \n", Input_Data.extracolor[0]);
42 printf("Extra color Green %f \n", Input_Data.extracolor[1]);
43 printf("Extra color Blue %f \n", Input_Data.extracolor[2]);
44
45 printf("Label color Red %f \n", Input_Data.label_color[0]);
46 printf("Label color Green %f \n", Input_Data.label_color[1]);
47 printf("Label color Blue %f \n", Input_Data.label_color[2]);
48
49 printf("Plus color Red %f \n", Input_Data.neg_pos_color[0][0]);
50 printf("Plus color Green %f \n", Input_Data.neg_pos_color[0][1]);
51 printf("Plus color Blue %f \n", Input_Data.neg_pos_color[0][2]);
52 printf("Minus color Red %f \n", Input_Data.neg_pos_color[1][0]);
53 printf("Minus color Green %f \n", Input_Data.neg_pos_color[1][1]);
54 printf("Minus color Blue %f \n", Input_Data.neg_pos_color[1][2]);
55
56 printf("Electrostatic plus color Red %f \n", Input_Data.electrostatic_poten_color[0][0]);
57 printf("Electrostatic plus color Green %f \n", Input_Data.electrostatic_poten_color[0][1]);
58 printf("Electrostatic plus color Blue %f \n", Input_Data.electrostatic_poten_color[0][2]);
59 printf("Electrostatic minus color Red %f \n", Input_Data.electrostatic_poten_color[1][0]);
60 printf("Electrostatic minus color Green %f \n", Input_Data.electrostatic_poten_color[1][1]);
61 printf("Electrostatic minus color Blue %f \n", Input_Data.electrostatic_poten_color[1][2]);
62
63 printf("Fatness atoms %f \n", Input_Data.fatness_a);
64 printf("Fatness bonds %f \n", Input_Data.fatness_b);
65
66 printf("Animate %d \n", Input_Data.animate);
67 printf("Initial Screen Size %d \n", Input_Data.init_screen_size);
68 printf("Level %f \n", Input_Data.lev);
69
70 printf("FILETYPES:\n");
71
72 for(i = 0; i < n_input_types; i++)
73 {
74 printf("ext = |%s| desc = |%s| forw = |%s| back = |%s| libpath = |%s|\n", input_filetypes[i].extension, input_filetypes[i].description, input_filetypes[i].forward, input_filetypes[i].backward, input_filetypes[i].libpath);
75 }
76
77 }
78 #endif
79
main(int argc,char ** argv)80 int main(int argc, char **argv)
81 {
82 init_variables();
83
84 init_input_filetypes();
85
86 load_atom_data();
87
88 load_fragment_data();
89
90 load_calc_def_data();
91
92 load_settings_data(argc, argv);
93
94 #ifdef EBUG
95 print_debug_data();
96 #endif
97
98 Init_Gui(argc, argv);
99
100 print_reference();
101
102 open_cmd_line_file();
103
104 start_check_for_changes();
105
106 Start_Gui();
107
108 remove_calc_def_data();
109
110 return EXIT_SUCCESS;
111 }
112
113