| 1 |  | /* | 
| 2 |  | File autogenerated by gengetopt version 2.22.4 | 
| 3 |  | generated with the following command: | 
| 4 | < | gengetopt -F DynamicPropsCmd -u | 
| 4 | > | gengetopt --file-name=DynamicPropsCmd --unamed-opts | 
| 5 |  |  | 
| 6 |  | The developers of gengetopt consider the fixed text that goes in all | 
| 7 |  | gengetopt output files to be in the public domain: | 
| 21 |  | #define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */ | 
| 22 |  | #endif | 
| 23 |  |  | 
| 24 | + | #ifdef WIN32 | 
| 25 | + | #include "utils/wingetopt.h" | 
| 26 | + | #else | 
| 27 |  | #include <getopt.h> | 
| 28 | + | #endif | 
| 29 |  |  | 
| 30 |  | #include "DynamicPropsCmd.h" | 
| 31 |  |  | 
| 45 |  | "      --order=INT               Lengendre Polynomial Order", | 
| 46 |  | "  -m, --memory=memory specification\n                                Available memory (defaults to 2G)  \n                                  (default=`2G')", | 
| 47 |  | "\n Group: dynamicProps\n   an option of this group is required", | 
| 48 | + | "  -s, --selecorr                selection correlation function", | 
| 49 |  | "  -r, --rcorr                   rmsd", | 
| 50 |  | "  -v, --vcorr                   velocity correlation function", | 
| 51 |  | "  -d, --dcorr                   dipole correlation function", | 
| 52 |  | "  -l, --lcorr                   Lengendre correlation function", | 
| 53 | < | "  -s, --sdcorr                  System dipole correlation function", | 
| 53 | > | "  -M, --sdcorr                  System dipole correlation function", | 
| 54 |  | "      --r_rcorr                 Radial rmsd", | 
| 55 |  | "      --thetacorr               Angular rmsd", | 
| 56 |  | "      --drcorr                  Directional rmsd for particles with unit \n                                  vectors", | 
| 91 |  | args_info->sele2_given = 0 ; | 
| 92 |  | args_info->order_given = 0 ; | 
| 93 |  | args_info->memory_given = 0 ; | 
| 94 | + | args_info->selecorr_given = 0 ; | 
| 95 |  | args_info->rcorr_given = 0 ; | 
| 96 |  | args_info->vcorr_given = 0 ; | 
| 97 |  | args_info->dcorr_given = 0 ; | 
| 137 |  | args_info->sele2_help = gengetopt_args_info_help[5] ; | 
| 138 |  | args_info->order_help = gengetopt_args_info_help[6] ; | 
| 139 |  | args_info->memory_help = gengetopt_args_info_help[7] ; | 
| 140 | < | args_info->rcorr_help = gengetopt_args_info_help[9] ; | 
| 141 | < | args_info->vcorr_help = gengetopt_args_info_help[10] ; | 
| 142 | < | args_info->dcorr_help = gengetopt_args_info_help[11] ; | 
| 143 | < | args_info->lcorr_help = gengetopt_args_info_help[12] ; | 
| 144 | < | args_info->sdcorr_help = gengetopt_args_info_help[13] ; | 
| 145 | < | args_info->r_rcorr_help = gengetopt_args_info_help[14] ; | 
| 146 | < | args_info->thetacorr_help = gengetopt_args_info_help[15] ; | 
| 147 | < | args_info->drcorr_help = gengetopt_args_info_help[16] ; | 
| 148 | < | args_info->helfandEcorr_help = gengetopt_args_info_help[17] ; | 
| 149 | < | args_info->momentum_help = gengetopt_args_info_help[18] ; | 
| 150 | < | args_info->stresscorr_help = gengetopt_args_info_help[19] ; | 
| 140 | > | args_info->selecorr_help = gengetopt_args_info_help[9] ; | 
| 141 | > | args_info->rcorr_help = gengetopt_args_info_help[10] ; | 
| 142 | > | args_info->vcorr_help = gengetopt_args_info_help[11] ; | 
| 143 | > | args_info->dcorr_help = gengetopt_args_info_help[12] ; | 
| 144 | > | args_info->lcorr_help = gengetopt_args_info_help[13] ; | 
| 145 | > | args_info->sdcorr_help = gengetopt_args_info_help[14] ; | 
| 146 | > | args_info->r_rcorr_help = gengetopt_args_info_help[15] ; | 
| 147 | > | args_info->thetacorr_help = gengetopt_args_info_help[16] ; | 
| 148 | > | args_info->drcorr_help = gengetopt_args_info_help[17] ; | 
| 149 | > | args_info->helfandEcorr_help = gengetopt_args_info_help[18] ; | 
| 150 | > | args_info->momentum_help = gengetopt_args_info_help[19] ; | 
| 151 | > | args_info->stresscorr_help = gengetopt_args_info_help[20] ; | 
| 152 |  |  | 
| 153 |  | } | 
| 154 |  |  | 
| 294 |  | write_into_file(outfile, "order", args_info->order_orig, 0); | 
| 295 |  | if (args_info->memory_given) | 
| 296 |  | write_into_file(outfile, "memory", args_info->memory_orig, 0); | 
| 297 | + | if (args_info->selecorr_given) | 
| 298 | + | write_into_file(outfile, "selecorr", 0, 0 ); | 
| 299 |  | if (args_info->rcorr_given) | 
| 300 |  | write_into_file(outfile, "rcorr", 0, 0 ); | 
| 301 |  | if (args_info->vcorr_given) | 
| 371 |  | if (! args_info->dynamicProps_group_counter) | 
| 372 |  | return; | 
| 373 |  |  | 
| 374 | + | args_info->selecorr_given = 0 ; | 
| 375 |  | args_info->rcorr_given = 0 ; | 
| 376 |  | args_info->vcorr_given = 0 ; | 
| 377 |  | args_info->dcorr_given = 0 ; | 
| 632 |  | { "sele2",      1, NULL, 0 }, | 
| 633 |  | { "order",      1, NULL, 0 }, | 
| 634 |  | { "memory",     1, NULL, 'm' }, | 
| 635 | + | { "selecorr",   0, NULL, 's' }, | 
| 636 |  | { "rcorr",      0, NULL, 'r' }, | 
| 637 |  | { "vcorr",      0, NULL, 'v' }, | 
| 638 |  | { "dcorr",      0, NULL, 'd' }, | 
| 639 |  | { "lcorr",      0, NULL, 'l' }, | 
| 640 | < | { "sdcorr",     0, NULL, 's' }, | 
| 640 | > | { "sdcorr",     0, NULL, 'M' }, | 
| 641 |  | { "r_rcorr",    0, NULL, 0 }, | 
| 642 |  | { "thetacorr",  0, NULL, 0 }, | 
| 643 |  | { "drcorr",     0, NULL, 0 }, | 
| 647 |  | { 0,  0, 0, 0 } | 
| 648 |  | }; | 
| 649 |  |  | 
| 650 | < | c = getopt_long (argc, argv, "hVi:o:m:rvdlsp", long_options, &option_index); | 
| 650 | > | c = getopt_long (argc, argv, "hVi:o:m:srvdlMp", long_options, &option_index); | 
| 651 |  |  | 
| 652 |  | if (c == -1) break;       /* Exit from `while (1)' loop.  */ | 
| 653 |  |  | 
| 699 |  | goto failure; | 
| 700 |  |  | 
| 701 |  | break; | 
| 702 | + | case 's':       /* selection correlation function.  */ | 
| 703 | + |  | 
| 704 | + | if (args_info->dynamicProps_group_counter && override) | 
| 705 | + | reset_group_dynamicProps (args_info); | 
| 706 | + | args_info->dynamicProps_group_counter += 1; | 
| 707 | + |  | 
| 708 | + | if (update_arg( 0 , | 
| 709 | + | 0 , &(args_info->selecorr_given), | 
| 710 | + | &(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO, | 
| 711 | + | check_ambiguity, override, 0, 0, | 
| 712 | + | "selecorr", 's', | 
| 713 | + | additional_error)) | 
| 714 | + | goto failure; | 
| 715 | + |  | 
| 716 | + | break; | 
| 717 |  | case 'r':       /* rmsd.  */ | 
| 718 |  |  | 
| 719 |  | if (args_info->dynamicProps_group_counter && override) | 
| 774 |  | goto failure; | 
| 775 |  |  | 
| 776 |  | break; | 
| 777 | < | case 's':       /* System dipole correlation function.  */ | 
| 777 | > | case 'M':       /* System dipole correlation function.  */ | 
| 778 |  |  | 
| 779 |  | if (args_info->dynamicProps_group_counter && override) | 
| 780 |  | reset_group_dynamicProps (args_info); | 
| 784 |  | 0 , &(args_info->sdcorr_given), | 
| 785 |  | &(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO, | 
| 786 |  | check_ambiguity, override, 0, 0, | 
| 787 | < | "sdcorr", 's', | 
| 787 | > | "sdcorr", 'M', | 
| 788 |  | additional_error)) | 
| 789 |  | goto failure; | 
| 790 |  |  |