src/ngmx/nleg.c

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
   8  *
   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
  16  * modify it under the terms of the GNU General Public License
  17  * as published by the Free Software Foundation; either version 2
  18  * of the License, or (at your option) any later version.
  19  *
  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
  22  * bugs must be traceable. We will be happy to consider code for
  23  * inclusion in the official distribution, but derived work must not
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  25  * files - if they are missing, get the official version at www.gromacs.org.
  26  *
  27  * To help us fund GROMACS development, we humbly ask that you cite
  28  * the papers on the package - you can find them in the top README file.
  29  *
  30  * For more info, check our website at http://www.gromacs.org
  31  *
  32  * And Hey:
  33  * Gyas ROwers Mature At Cryogenic Speed
  34  */
  35 #ifdef HAVE_CONFIG_H
  36 #include <config.h>
  37 #endif
  38
  39 #include <ctype.h>
  40 #include <string.h>
  41 #include <smalloc.h>
  42 #include <macros.h>
  43 #include "buttons.h"
  44 #include "nleg.h"
  45 #include "writeps.h"
  46
  47 typedef struct {
  48   const char    *tp;
  49   unsigned long *col;
  50   t_rgb rgb;
  51 } t_atomcolor;
  52
  53 static t_atomcolor ac[] = {
  54   { "O",  &LIGHTRED,     { 1,  0,  0   } },
  55   { "N",  &LIGHTCYAN,    { 0,  0,  1   } },
  56   { "NA", &LIGHTGREY,    { 0.6,0.6,0.6 } },
  57   { "S",  &YELLOW,       { 1,  1,  0   } },
  58   { "C",  &LIGHTGREEN,   { 0,  1,  0   } },
  59   { "CL", &VIOLET,       { 1,  0,  1   } },
  60   { "F",  &LIGHTGREY,    { 0.6,0.6,0.6 } },
  61   { "Z",  &LIGHTGREY,    { 0.6,0.6,0.6 } },
  62   { "P",  &LIGHTBLUE,    { 0.4,0.4,1.0 } },
  63   { "H",  &WHITE,        { 0.8,0.8,0.8 } }
  64 };
  65 #define NAC asize(ac)
  66
  67 int search_ac(const char *type)
  68 {
  69   int i,nb,mij,best,besti;
  70
  71   best=0;
  72   besti=0;
  73   if (type) {
  74     for(i=0; (i<NAC); i++) {
  75       mij=min((int)strlen(type),(int)strlen(ac[i].tp));
  76       for(nb=0; (nb<mij); nb++)
  77         if (type[nb] != ac[i].tp[nb])
  78           break;
  79       if (nb > best) {
  80         best=nb;
  81         besti=i;
  82       }
  83     }
  84   }
  85   return besti;
  86 }
  87
  88 unsigned long Type2Color(const char *type)
  89 {
  90   int i;
  91
  92   i=search_ac(type);
  93
  94   return *(ac[i].col);
  95 }
  96
  97 t_rgb *Type2RGB(const char *type)
  98 {
  99   int i;
 100
 101   i=search_ac(type);
 102
 103   return &(ac[i].rgb);
 104 }
 105
 106 void DrawLegend(t_x11 *x11,t_windata *Win)
 107 {
 108 #define NLAB 6
 109 #define COLS 3
 110   static const char *lab[NLAB] = { "C", "O", "H", "S", "N", "P" };
 111   int  i,i0,dh,dw,w,y,x1,x0;
 112   unsigned long cind;
 113   real h_2;
 114
 115   XClearWindow(x11->disp, Win->self);
 116   w=Win->width;
 117   h_2=Win->height/(2.0*NLAB/COLS);
 118   dh=h_2-2;
 119   dw=dh;
 120
 121   for (i=0; (i<NLAB); i++) {
 122     i0=i % (NLAB/COLS);
 123     x0=(i / (NLAB/COLS))*(Win->width/COLS)+AIR;
 124     x1=x0+2*dw+AIR;
 125     cind=Type2Color(lab[i]);
 126     XSetForeground(x11->disp,x11->gc,cind);
 127     y=((2*i0+1)*h_2);
 128     XFillRectangle (x11->disp,Win->self,x11->gc,x0,y-dh,2*dw,2*dh);
 129     XSetForeground(x11->disp,x11->gc,WHITE);
 130     TextInRect(x11,Win->self,lab[i],x1,y-dh,w-x1,2*dh,
 131                eXLeft,eYCenter);
 132   }
 133   XSetForeground(x11->disp,x11->gc,x11->fg);
 134 }
 135
 136 static bool LegWCallBack(t_x11 *x11,XEvent *event, Window w, void *data)
 137 {
 138   t_legendwin *lw;
 139
 140   lw=(t_legendwin *)data;
 141   switch(event->type) {
 142   case Expose:
 143     DrawLegend(x11,&lw->wd);
 144     break;
 145   default:
 146     break;
 147   }
 148   return FALSE;
 149 }
 150
 151 t_legendwin *init_legw(t_x11 *x11,Window Parent,
 152                        int x,int y,int width,int height,
 153                        unsigned long fg,unsigned long bg)
 154 {
 155   t_legendwin *lw;
 156
 157   snew(lw,1);
 158   InitWin(&lw->wd,x,y,width,height,1,"Legend Window");
 159   lw->wd.self=XCreateSimpleWindow(x11->disp,Parent,x,y,1,1,1,fg,bg);
 160   x11->RegisterCallback(x11,lw->wd.self,Parent,LegWCallBack,lw);
 161   x11->SetInputMask(x11,lw->wd.self,ExposureMask);
 162
 163   return lw;
 164 }
 165
 166 void map_legw(t_x11 *x11,t_legendwin *lw)
 167 {
 168   XMapWindow(x11->disp,lw->wd.self);
 169 }
 170
 171
 172 void done_legw(t_x11 *x11,t_legendwin *lw)
 173 {
 174   x11->UnRegisterCallback(x11,lw->wd.self);
 175   sfree(lw);
 176 }
 177