src/programs/view/filter.cpp

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  37 #include "gmxpre.h"
  38
  39 #include <cstdio>
  40 #include <cstring>
  41
  42 #include <algorithm>
  43
  44 #include "gromacs/legacyheaders/macros.h"
  45 #include "gromacs/topology/index.h"
  46 #include "gromacs/utility/cstringutil.h"
  47 #include "gromacs/utility/dir_separator.h"
  48 #include "gromacs/utility/fatalerror.h"
  49 #include "gromacs/utility/futil.h"
  50 #include "gromacs/utility/smalloc.h"
  51
  52 #include "dialogs.h"
  53 #include "xdlghi.h"
  54
  55 t_filter *init_filter(t_atoms *atoms, const char *fn, int natom_trx)
  56 {
  57     t_filter *f;
  58     int       g, i;
  59
  60     snew(f, 1);
  61     if (fn != NULL)
  62     {
  63         f->grps = init_index(fn, &f->grpnames);
  64     }
  65     else
  66     {
  67         snew(f->grps, 1);
  68         snew(f->grps->index, 1);
  69         analyse(atoms, f->grps, &f->grpnames, false, false);
  70     }
  71     snew(f->bDisable, f->grps->nr);
  72     for (g = 0; g < f->grps->nr; g++)
  73     {
  74         for (i = f->grps->index[g]; i < f->grps->index[g+1] && !f->bDisable[g]; i++)
  75         {
  76             f->bDisable[g] = (f->grps->a[i] >= natom_trx);
  77         }
  78     }
  79
  80     snew(f->bShow, f->grps->nr);
  81
  82     return f;
  83 }
  84
  85 static void FilterCB(t_x11 *x11, int dlg_mess, int /*item_id*/,
  86                      char *set, void *data)
  87 {
  88     int       nset;
  89     t_filter *f;
  90     t_gmx    *gmx;
  91     t_dlg    *dlg;
  92
  93     gmx = (t_gmx *)data;
  94     dlg = gmx->dlgs[edFilter];
  95     f   = gmx->filter;
  96
  97 #ifdef DEBUG
  98     std::printf("item_id: %d, set: %s\n", item_id, set);
  99 #endif
 100     switch (dlg_mess)
 101     {
 102         case DLG_SET:
 103             if (set)
 104             {
 105                 if (sscanf(set, "%10d", &nset) == 1)
 106                 {
 107                     f->bShow[nset] = !f->bShow[nset];
 108                 }
 109             }
 110             break;
 111         case DLG_EXIT:
 112             HideDlg(dlg);
 113             write_gmx(x11, gmx, IDDOFILTER);
 114             break;
 115     }
 116 }
 117
 118 t_dlg *select_filter(t_x11 *x11, t_gmx *gmx)
 119 {
 120     static const char *title = "Group";
 121     static const char *dummy = "\"FALSE\"";
 122     static const char *ok    = "\"Ok\"";
 123     FILE              *tmp;
 124     t_dlg             *dlg;
 125     char               tmpfile[STRLEN];
 126     int                i, j, k, len, tlen, ht, ncol, nrow, x0;
 127
 128     len = std::strlen(title);
 129     for (i = 0; (i < (int)gmx->filter->grps->nr); i++)
 130     {
 131         len = std::max(len, static_cast<int>(std::strlen(gmx->filter->grpnames[i])));
 132     }
 133     len += 2;
 134
 135     ncol = 1+(gmx->filter->grps->nr / 15);
 136     nrow = gmx->filter->grps->nr/ncol;
 137     if (nrow*ncol < gmx->filter->grps->nr)
 138     {
 139         nrow++;
 140     }
 141     if (ncol > 1)
 142     {
 143         ht = 1+(nrow+1)*2+3;
 144     }
 145     else
 146     {
 147         ht = 1+(gmx->filter->grps->nr+1)*2+3;
 148     }
 149     std::strcpy(tmpfile, "filterXXXXXX");
 150     gmx_tmpnam(tmpfile);
 151 #ifdef DEBUG
 152     std::fprintf(stderr, "file: %s\n", tmpfile);
 153 #endif
 154     if ((tmp = std::fopen(tmpfile, "w")) == NULL)
 155     {
 156         std::sprintf(tmpfile, "%ctmp%cfilterXXXXXX", DIR_SEPARATOR, DIR_SEPARATOR);
 157         gmx_tmpnam(tmpfile);
 158         if ((tmp = std::fopen(tmpfile, "w")) == NULL)
 159         {
 160             gmx_fatal(FARGS, "Can not open tmp file %s", tmpfile);
 161         }
 162     }
 163     tlen = 1+ncol*(1+len);
 164     std::fprintf(tmp, "grid %d %d {\n\n", tlen, ht);
 165
 166     for (k = j = 0, x0 = 1; (j < ncol); j++, x0 += len+1)
 167     {
 168         std::fprintf(tmp, "group \"%s-%d\" %d 1 %d %d {\n", title, j+1, x0, len, ht-5);
 169         for (i = 0; (i < nrow) && (k < gmx->filter->grps->nr); i++, k++)
 170         {
 171             if (!gmx->filter->bDisable[k])
 172             {
 173                 std::fprintf(tmp, "checkbox \"%s\" \"%d\" %s %s %s\n",
 174                              gmx->filter->grpnames[k], k, dummy, dummy, dummy);
 175             }
 176             else
 177             {
 178                 std::fprintf(tmp, "statictext { \"  %s\" } \"%d\" %s %s %s\n",
 179                              gmx->filter->grpnames[k], k, dummy, dummy, dummy);
 180             }
 181         }
 182         std::fprintf(tmp, "}\n\n");
 183     }
 184     std::fprintf(tmp, "simple 1 %d %d 2 {\n", ht-3, tlen-2);
 185     std::fprintf(tmp, "defbutton %s %s %s %s %s\n", ok, ok, dummy, dummy, dummy);
 186     std::fprintf(tmp, "}\n\n}\n");
 187     std::fclose(tmp);
 188
 189     dlg = ReadDlg(x11, gmx->wd->self, title, tmpfile,
 190                   0, 0, true, false, FilterCB, gmx);
 191
 192     std::remove(tmpfile);
 193
 194     return dlg;
 195 }