| 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); |