| version 1.33 | version 1.34 |
|---|
| |
| (!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], "charge") |
| || !strcasecmp(argv[1], "atomid") | || !strcasecmp(argv[1], "atomid") |
| ) | ) |
| ) { | ) { |
| |
| 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], "charge")) { |
| | #if TCL_MINOR_VERSION >= 6 |
| | char buf[512]; |
| | sprintf(buf, "%f", atoms->charge); |
| | Tcl_AppendResult(interp, buf, NULL); |
| | #else |
| | sprintf(interp->result, "%f", atoms->charge); |
| | #endif |
| | return TCL_OK; |
| } else if (!strcasecmp(argv[1], "atomid")) { | } else if (!strcasecmp(argv[1], "atomid")) { |
| #if TCL_MINOR_VERSION >= 6 | #if TCL_MINOR_VERSION >= 6 |
| char buf[512]; | char buf[512]; |