version 1.28 | version 1.29 |
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| |
} else if (argc == 5 && | } else if (argc == 5 && |
(!strcasecmp(argv[1], "coordinates") | (!strcasecmp(argv[1], "coordinates") |
|| !strcasecmp(argv[1], "velocities") | || !strcasecmp(argv[1], "velocities") |
|| !strcasecmp(argv[1], "mass"))) { | || !strcasecmp(argv[1], "mass") |
| || !strcasecmp(argv[1], "atomid") |
| ) |
| ) { |
topo_mol *mol = psf->mol; | topo_mol *mol = psf->mol; |
int segindex = (mol ? | int segindex = (mol ? |
hasharray_index(mol->segment_hash, argv[2]) : | hasharray_index(mol->segment_hash, argv[2]) : |
| |
sprintf(interp->result, "%f", atoms->mass); | sprintf(interp->result, "%f", atoms->mass); |
#endif | #endif |
return TCL_OK; | return TCL_OK; |
| } else if (!strcasecmp(argv[1], "atomid")) { |
| #if TCL_MINOR_VERSION >= 6 |
| char buf[512]; |
| sprintf(buf, "%d", atoms->atomid); |
| Tcl_AppendResult(interp, buf, NULL); |
| #else |
| sprintf(interp->result, "%d", atoms->atomid); |
| #endif |
| return TCL_OK; |
} | } |
} | } |
atoms = atoms->next; | atoms = atoms->next; |