src/ngmx/filter.c

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Great Red Oystrich Makes All Chemists Sane
  28  */
  29 static char *SRCID_filter_c = "$Id$";
  30
  31 #include <string.h>
  32 #include "sysstuff.h"
  33 #include "futil.h"
  34 #include "smalloc.h"
  35 #include "macros.h"
  36 #include "rdgroup.h"
  37 #include "xdlghi.h"
  38 #include "dialogs.h"
  39 #include "index.h"
  40
  41 t_filter *init_filter(t_atoms *atoms, char *fn)
  42 {
  43   t_filter *f;
  44
  45   snew(f,1);
  46   if (fn != NULL)
  47     f->grps=init_index(fn,&f->grpnames);
  48   else {
  49     snew(f->grps,1);
  50     snew(f->grps->index,1);
  51     analyse(atoms,f->grps,&f->grpnames,FALSE,FALSE);
  52   }
  53   snew(f->bShow,f->grps->nr);
  54
  55   return f;
  56 }
  57
  58 static void FilterCB(t_x11 *x11,int dlg_mess,int item_id,
  59                      char *set,void *data)
  60 {
  61   int      nset;
  62   t_filter *f;
  63   t_gmx    *gmx;
  64   t_dlg    *dlg;
  65
  66   gmx=(t_gmx *)data;
  67   dlg=gmx->dlgs[edFilter];
  68   f=gmx->filter;
  69
  70 #ifdef DEBUG
  71   printf("item_id: %d, set: %s\n",item_id,set);
  72 #endif
  73   switch (dlg_mess) {
  74   case DLG_SET:
  75     if (set)
  76       if (sscanf(set,"%d",&nset)==1)
  77         f->bShow[nset]=!f->bShow[nset];
  78     break;
  79   case DLG_EXIT:
  80     HideDlg(dlg);
  81     write_gmx(x11,gmx,IDDOFILTER);
  82     break;
  83   }
  84 }
  85
  86 t_dlg *select_filter(t_x11 *x11,t_gmx *gmx)
  87 {
  88   static char *title="Group";
  89   static char *dummy="\"FALSE\"";
  90   static char *ok="\"Ok\"";
  91   FILE   *tmp;
  92   t_dlg  *dlg;
  93   char   tmpfile[L_tmpnam];
  94   int    i,j,k,len,tlen,ht,ncol,nrow,x0;
  95
  96   len=strlen(title);
  97   for(i=0; (i<(int)gmx->filter->grps->nr); i++)
  98     len=max(len,(int)strlen(gmx->filter->grpnames[i]));
  99   len+=2;
 100
 101   ncol=1+(gmx->filter->grps->nr / 15);
 102   nrow=gmx->filter->grps->nr/ncol;
 103   if (nrow*ncol < gmx->filter->grps->nr)
 104     nrow++;
 105   if (ncol > 1) {
 106     ht=1+(nrow+1)*2+3;
 107   }
 108   else {
 109     ht=1+(gmx->filter->grps->nr+1)*2+3;
 110   }
 111   tmpnam(tmpfile);
 112 #ifdef DEBUG
 113   fprintf(stderr,"file: %s\n",tmpfile);
 114 #endif
 115   tmp=fopen(tmpfile,"w");
 116   tlen=1+ncol*(1+len);
 117   fprintf(tmp,"grid %d %d {\n\n",tlen,ht);
 118
 119   for(k=j=0,x0=1; (j<ncol); j++,x0+=len+1) {
 120     fprintf(tmp,"group \"%s-%d\" %d 1 %d %d {\n",title,j+1,x0,len,ht-5);
 121     for(i=0; (i<nrow) && (k<gmx->filter->grps->nr); i++,k++)
 122       fprintf(tmp,"checkbox \"%s\" \"%d\" %s %s %s\n",
 123               gmx->filter->grpnames[k],k,dummy,dummy,dummy);
 124     fprintf(tmp,"}\n\n");
 125   }
 126   fprintf(tmp,"simple 1 %d %d 2 {\n",ht-3,tlen-2);
 127   fprintf(tmp,"defbutton %s %s %s %s %s\n",ok,ok,dummy,dummy,dummy);
 128   fprintf(tmp,"}\n\n}\n");
 129   fclose(tmp);
 130
 131   dlg=ReadDlg(x11,gmx->wd->self,title,x11->fg,x11->bg,tmpfile,
 132               0,0,TRUE,FALSE,FilterCB,gmx);
 133
 134   remove(tmpfile);
 135
 136   return dlg;
 137 }