13 |
|
|
14 |
|
#define POV_DIR "./pov" |
15 |
|
|
16 |
+ |
|
17 |
|
struct linked_xyz{ |
18 |
|
struct coords *r; |
19 |
|
struct linked_xyz *next; |
23 |
|
int draw_bonds = 0; /* boolean to draw bonds or not */ |
24 |
|
int draw_hydrogens = 0; /*boolean to draw hydrogens */ |
25 |
|
int draw_atoms = 0; /*boolean to draw atoms */ |
26 |
+ |
int regenerateBonds = 0; // boolean to regenearate bonds each frame |
27 |
|
|
28 |
|
void usage(void); |
29 |
|
|
76 |
|
|
77 |
|
program_name = argv[0]; /*save the program name in case we need it*/ |
78 |
|
|
79 |
< |
|
79 |
> |
|
80 |
|
for( i = 1; i < argc; i++){ |
81 |
|
|
82 |
|
if(argv[i][0] =='-'){ |
143 |
|
// -a => draw the atoms |
144 |
|
|
145 |
|
draw_atoms = 1; |
146 |
+ |
break; |
147 |
+ |
|
148 |
+ |
case 'r': |
149 |
+ |
// -r => regenerate bonds |
150 |
+ |
|
151 |
+ |
regenerateBonds = 1; |
152 |
|
break; |
153 |
|
|
154 |
|
default: |
201 |
|
// initialize atom type parser |
202 |
|
|
203 |
|
initializeParser(); |
204 |
+ |
initBondList(); |
205 |
|
|
206 |
|
// count the number of frames |
207 |
|
|
536 |
|
" -h draw hydrogens\n" |
537 |
|
" -b draw bonds\n" |
538 |
|
" -a draw atoms\n" |
539 |
+ |
" -r regenerate bond\n" |
540 |
|
"\n", |
541 |
|
program_name); |
542 |
|
exit(8); |