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/topology/index.h"
  45 #include "gromacs/utility/cstringutil.h"
  46 #include "gromacs/utility/dir_separator.h"
  47 #include "gromacs/utility/fatalerror.h"
  48 #include "gromacs/utility/futil.h"
  49 #include "gromacs/utility/smalloc.h"
  50
  51 #include "dialogs.h"
  52 #include "xdlghi.h"
  53
  54 t_filter* init_filter(t_atoms* atoms, const char* fn, int natom_trx)
  55 {
  56     t_filter* f;
  57     int       g, i;
  58
  59     snew(f, 1);
  60     if (fn != nullptr)
  61     {
  62         f->grps = init_index(fn, &f->grpnames);
  63     }
  64     else
  65     {
  66         snew(f->grps, 1);
  67         snew(f->grps->index, 1);
  68         analyse(atoms, f->grps, &f->grpnames, false, false);
  69     }
  70     snew(f->bDisable, f->grps->nr);
  71     for (g = 0; g < f->grps->nr; g++)
  72     {
  73         for (i = f->grps->index[g]; i < f->grps->index[g + 1] && !f->bDisable[g]; i++)
  74         {
  75             f->bDisable[g] = (f->grps->a[i] >= natom_trx);
  76         }
  77     }
  78
  79     snew(f->bShow, f->grps->nr);
  80
  81     return f;
  82 }
  83
  84 static void FilterCB(t_x11* x11, int dlg_mess, int /*item_id*/, char* set, void* data)
  85 {
  86     int       nset;
  87     t_filter* f;
  88     t_gmx*    gmx;
  89     t_dlg*    dlg;
  90
  91     gmx = (t_gmx*)data;
  92     dlg = gmx->dlgs[edFilter];
  93     f   = gmx->filter;
  94
  95 #ifdef DEBUG
  96     std::printf("item_id: %d, set: %s\n", item_id, set);
  97 #endif
  98     switch (dlg_mess)
  99     {
 100         case DLG_SET:
 101             if (set)
 102             {
 103                 if (sscanf(set, "%10d", &nset) == 1)
 104                 {
 105                     f->bShow[nset] = !f->bShow[nset];
 106                 }
 107             }
 108             break;
 109         case DLG_EXIT:
 110             HideDlg(dlg);
 111             write_gmx(x11, gmx, IDDOFILTER);
 112             break;
 113     }
 114 }
 115
 116 t_dlg* select_filter(t_x11* x11, t_gmx* gmx)
 117 {
 118     static const char* title = "Group";
 119     static const char* dummy = "\"FALSE\"";
 120     static const char* ok    = "\"Ok\"";
 121     FILE*              tmp;
 122     t_dlg*             dlg;
 123     char               tmpfile[STRLEN];
 124     int                i, j, k, len, tlen, ht, ncol, nrow, x0;
 125
 126     len = std::strlen(title);
 127     for (i = 0; (i < (int)gmx->filter->grps->nr); i++)
 128     {
 129         len = std::max(len, static_cast<int>(std::strlen(gmx->filter->grpnames[i])));
 130     }
 131     len += 2;
 132
 133     ncol = 1 + (gmx->filter->grps->nr / 15);
 134     nrow = gmx->filter->grps->nr / ncol;
 135     if (nrow * ncol < gmx->filter->grps->nr)
 136     {
 137         nrow++;
 138     }
 139     if (ncol > 1)
 140     {
 141         ht = 1 + (nrow + 1) * 2 + 3;
 142     }
 143     else
 144     {
 145         ht = 1 + (gmx->filter->grps->nr + 1) * 2 + 3;
 146     }
 147     std::strcpy(tmpfile, "filterXXXXXX");
 148     tmp = gmx_fopen_temporary(tmpfile);
 149 #ifdef DEBUG
 150     std::fprintf(stderr, "file: %s\n", tmpfile);
 151 #endif
 152     tlen = 1 + ncol * (1 + len);
 153     std::fprintf(tmp, "grid %d %d {\n\n", tlen, ht);
 154
 155     for (k = j = 0, x0 = 1; (j < ncol); j++, x0 += len + 1)
 156     {
 157         std::fprintf(tmp, "group \"%s-%d\" %d 1 %d %d {\n", title, j + 1, x0, len, ht - 5);
 158         for (i = 0; (i < nrow) && (k < gmx->filter->grps->nr); i++, k++)
 159         {
 160             if (!gmx->filter->bDisable[k])
 161             {
 162                 std::fprintf(tmp, "checkbox \"%s\" \"%d\" %s %s %s\n", gmx->filter->grpnames[k], k,
 163                              dummy, dummy, dummy);
 164             }
 165             else
 166             {
 167                 std::fprintf(tmp, "statictext { \"  %s\" } \"%d\" %s %s %s\n",
 168                              gmx->filter->grpnames[k], k, dummy, dummy, dummy);
 169             }
 170         }
 171         std::fprintf(tmp, "}\n\n");
 172     }
 173     std::fprintf(tmp, "simple 1 %d %d 2 {\n", ht - 3, tlen - 2);
 174     std::fprintf(tmp, "defbutton %s %s %s %s %s\n", ok, ok, dummy, dummy, dummy);
 175     std::fprintf(tmp, "}\n\n}\n");
 176     gmx_ffclose(tmp);
 177
 178     dlg = ReadDlg(x11, gmx->wd->self, title, tmpfile, 0, 0, true, false, FilterCB, gmx);
 179
 180     std::remove(tmpfile);
 181
 182     return dlg;
 183 }