src/gmxlib/copyrite.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  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29 static char *SRCID_copyrite_c = "$Id$";
  30
  31 #include <string.h>
  32 #include <ctype.h>
  33 #include "sysstuff.h"
  34 #include "smalloc.h"
  35 #include "string2.h"
  36 #include "macros.h"
  37 #include "time.h"
  38 #include "random.h"
  39 #include "copyrite.h"
  40 #include "strdb.h"
  41 #include "futil.h"
  42
  43 static void pr_two(FILE *out,int c,int i)
  44 {
  45   if (i < 10)
  46     fprintf(out,"%c0%1d",c,i);
  47   else
  48     fprintf(out,"%c%2d",c,i);
  49 }
  50
  51 void pr_difftime(FILE *out,double dt)
  52 {
  53   int    ndays,nhours,nmins,nsecs;
  54   bool   bPrint,bPrinted;
  55
  56   ndays = dt/(24*3600);
  57   dt    = dt-24*3600*ndays;
  58   nhours= dt/3600;
  59   dt    = dt-3600*nhours;
  60   nmins = dt/60;
  61   dt    = dt-nmins*60;
  62   nsecs = dt;
  63   bPrint= (ndays > 0);
  64   bPrinted=bPrint;
  65   if (bPrint)
  66     fprintf(out,"%d",ndays);
  67   bPrint=bPrint || (nhours > 0);
  68   if (bPrint) {
  69     if (bPrinted)
  70       pr_two(out,'d',nhours);
  71     else
  72       fprintf(out,"%d",nhours);
  73   }
  74   bPrinted=bPrinted || bPrint;
  75   bPrint=bPrint || (nmins > 0);
  76   if (bPrint) {
  77     if (bPrinted)
  78       pr_two(out,'h',nmins);
  79     else
  80       fprintf(out,"%d",nmins);
  81   }
  82   bPrinted=bPrinted || bPrint;
  83   if (bPrinted)
  84     pr_two(out,':',nsecs);
  85   else
  86     fprintf(out,"%ds",nsecs);
  87   fprintf(out,"\n");
  88 }
  89
  90 bool be_cool(void)
  91 {
  92   static int cool=-1;
  93
  94   if (cool == -1) {
  95     if ((getenv("IAMCOOL")) == NULL)
  96       cool=0;
  97     else
  98       cool=1;
  99   }
 100   return cool;
 101 }
 102
 103 void space(FILE *out, int n)
 104 {
 105   fprintf(out,"%*s",n,"");
 106 }
 107
 108 void f(char *a){int i;for(i=0;i<(int)strlen(a);i++)a[i]=~a[i]; }
 109
 110 static void sp_print(FILE *out,char *s)
 111 {
 112   int slen;
 113
 114   slen=strlen(s);
 115   space(out,(80-slen)/2);
 116   fprintf(out,"%s\n",s);
 117 }
 118
 119 static void ster_print(FILE *out,char *s)
 120 {
 121   int  slen;
 122   char buf[128];
 123
 124   sprintf(buf,":-)  %s  (-:",s);
 125   slen=strlen(buf);
 126   space(out,(80-slen)/2);
 127   fprintf(out,"%s\n",buf);
 128 }
 129
 130 /* char *GromacsVersion() */
 131 /* { */
 132 /*   return ver; */
 133 /* } */
 134
 135 static int nran=0;
 136
 137 static char *pukeit(char *db,char *defstring)
 138 {
 139   static char hulp[STRLEN];
 140   FILE *fp;
 141   char **help;
 142   int  i,nhlp;
 143   int  seed;
 144
 145   if (!be_cool())
 146     return defstring;
 147   else if ((fp = low_libopen(db,FALSE)) != NULL) {
 148     nhlp=fget_lines(fp,&help);
 149     fclose(fp);
 150     seed=time(NULL);
 151     nran=nhlp*rando(&seed);
 152     if (strlen(help[nran]) >= STRLEN)
 153       help[nran][STRLEN-1] = '\0';
 154     strcpy(hulp,help[nran]);
 155     f(hulp);
 156     for(i=0; (i<nhlp); i++)
 157       sfree(help[i]);
 158     sfree(help);
 159
 160     return hulp;
 161   }
 162   else
 163     return defstring;
 164 }
 165
 166 char *bromacs(void)
 167 {
 168   return pukeit("bromacs.dat",
 169                 "Groningen Machine for Chemical Simulation");
 170 }
 171
 172 char *cool_quote(void)
 173 {
 174   static char buf[1024];
 175   char *s,*ptr;
 176
 177   /* protect audience from explicit lyrics */
 178   s = pukeit("gurgle.dat","Thanx for Using GROMACS - Have a Nice Day");
 179
 180   if (be_cool() && ((ptr=strchr(s,'_')) != NULL)) {
 181     *ptr='\0';
 182     ptr++;
 183     sprintf(buf,"\"%s\" %s",s,ptr);
 184   }
 185   else {
 186     strcpy(buf,s);
 187   }
 188
 189   return buf;
 190 }
 191
 192 void CopyRight(FILE *out,char *szProgram)
 193 {
 194 #define NCR asize(CopyrightText)
 195   char buf[256];
 196   char *ptr;
 197
 198   int i;
 199
 200   ster_print(out,"G  R  O  M  A  C  S");
 201   fprintf(out,"\n");
 202
 203   ptr=bromacs();
 204   sp_print(out,ptr);
 205   fprintf(out,"\n");
 206
 207   ster_print(out,GromacsVersion());
 208   fprintf(out,"\n");
 209
 210   for(i=0; (i<NCR); i++)
 211     sp_print(out,CopyrightText[i]);
 212
 213   sprintf(buf,"%s",szProgram);
 214 #ifdef DOUBLE
 215   strcat(buf," (double precision)");
 216 #endif
 217   ster_print(out,buf);
 218   fprintf(out,"\n");
 219 }
 220
 221 void thanx(FILE *fp)
 222 {
 223   char *cq,*c;
 224
 225   /* protect the audience from suggestive discussions */
 226   cq=cool_quote();
 227
 228   if (be_cool()) {
 229     snew(c,strlen(cq)+20);
 230     sprintf(c,"gcq#%d: %s\n",nran,cq);
 231     fprintf(fp,"\n%s\n",c);
 232     sfree(c);
 233   }
 234   else
 235     fprintf(fp,"\n%s\n",cq);
 236 }
 237
 238 void please_cite(FILE *fp,char *key)
 239 {
 240   static char *citedb[] = {
 241    "Berendsen95a",
 242    "H. J. C. Berendsen, D. van der Spoel and R. van Drunen",
 243    "GROMACS: A message-passing parallel molecular dynamics implementation",
 244    "Comp. Phys. Comm.",
 245    "91 1995 43 56",
 246
 247    "Berendsen84a",
 248    "H. J. C. Berendsen, J. P. M. Postma, A. DiNola and J. R. Haak",
 249    "Molecular dynamics with coupling to an external bath",
 250    "J. Chem. Phys.",
 251    "81 1984 3684 3690",
 252
 253    "Ryckaert77a",
 254    "J. P. Ryckaert and G. Ciccotti and H. J. C. Berendsen",
 255    "Numerical Integration of the Cartesian Equations of Motion of a "
 256    "System with Constraints; Molecular Dynamics of n-Alkanes",
 257    "J. Comp. Phys.",
 258    "23 1977 327 341",
 259
 260    "Miyamoto92a",
 261    "S. Miyamoto and P. A. Kollman",
 262    "SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms "
 263    "for Rigid Water Models",
 264    "J. Comp. Chem.",
 265    "13 1992 952 962",
 266
 267    "Barth95a",
 268    "E. Barth and K. Kuczera and B. Leimkuhler and R. D. Skeel",
 269    "Algorithms for Constrained Molecular Dynamics",
 270    "J. Comp. Chem.",
 271    "16 1995 1192 1209",
 272
 273    "Torda89a",
 274    "A. E. Torda and R. M. Scheek and W. F. van Gunsteren",
 275    "Time-dependent distance restraints in molecular dynamics simulations",
 276    "Chem. Phys. Lett.",
 277    "157 1989 289 294",
 278
 279    "Tironi95a",
 280    "I. G. Tironi and R. Sperb and P. E. Smith and W. F. van Gunsteren",
 281    "Generalized reaction field method for molecular dynamics simulations",
 282    "J. Chem. Phys",
 283    "102 1995 5451 5459",
 284
 285    "Hess97a",
 286    "B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije",
 287    "LINCS: A Linear Constraint Solver for molecular simulations",
 288    "J. Comp. Chem.",
 289    "18 1997 1463 1472",
 290
 291    "DeGroot97a",
 292    "B. L. de Groot and D. M. F. van Aalten and R. M. Scheek and A. Amadei and G. Vriend and H. J. C. Berendsen",
 293    "Prediction of Protein Conformational Freedom From Distance Constrains",
 294    "Proteins",
 295    "29 1997 240 251"
 296   };
 297 #define NSTR asize(citedb)
 298
 299   int  j,index,year,vol,p1,p2;
 300   char *ptr[3];
 301 #define LINE_WIDTH 79
 302
 303   index = search_str(NSTR,citedb,key);
 304
 305   fprintf(fp,"\n++++++++ PLEASE CITE THE FOLLOWING REFERENCE ++++++++\n");
 306   if ((index != -1) && (index+4 < NSTR)) {
 307     if (sscanf(citedb[index+4],"%d%d%d%d",&vol,&year,&p1,&p2) != 4) {
 308       vol=year=p1=p2=0;
 309     }
 310     /* Insert newlines */
 311     for(j=1; (j<=3); j++)
 312       ptr[j-1] = wrap_lines(citedb[index+j],LINE_WIDTH,0);
 313     fprintf(fp,"%s\n%s\n%s %d (%d) pp. %d-%d\n",
 314             ptr[0],ptr[1],ptr[2],
 315             vol,year,p1,p2);
 316     for(j=0; (j<3); j++)
 317       sfree(ptr[j]);
 318   }
 319   else {
 320     fprintf(fp,"Entry %s not found in citation database\n",key);
 321   }
 322   fprintf(fp,"-------- -------- --- Thank You --- -------- --------\n\n");
 323   fflush(fp);
 324 }