--- trunk/xyz2pov/src/xyz2pov.c 2003/04/28 16:03:10 507 +++ trunk/xyz2pov/src/xyz2pov.c 2003/04/29 15:21:34 508 @@ -13,6 +13,7 @@ struct linked_xyz{ #define POV_DIR "./pov" + struct linked_xyz{ struct coords *r; struct linked_xyz *next; @@ -22,6 +23,7 @@ int draw_atoms = 0; /*boolean to draw atoms */ int draw_bonds = 0; /* boolean to draw bonds or not */ int draw_hydrogens = 0; /*boolean to draw hydrogens */ int draw_atoms = 0; /*boolean to draw atoms */ +int regenerateBonds = 0; // boolean to regenearate bonds each frame void usage(void); @@ -74,7 +76,7 @@ int main(argc, argv) program_name = argv[0]; /*save the program name in case we need it*/ - + for( i = 1; i < argc; i++){ if(argv[i][0] =='-'){ @@ -141,6 +143,12 @@ int main(argc, argv) // -a => draw the atoms draw_atoms = 1; + break; + + case 'r': + // -r => regenerate bonds + + regenerateBonds = 1; break; default: @@ -193,6 +201,7 @@ int main(argc, argv) // initialize atom type parser initializeParser(); + initBondList(); // count the number of frames @@ -527,6 +536,7 @@ void usage(){ " -h draw hydrogens\n" " -b draw bonds\n" " -a draw atoms\n" + " -r regenerate bond\n" "\n", program_name); exit(8);