#include "WaterHbonds.h"

main(int argc,char **argv)
{
  SAY_HI_FIRST;
  CITATION;
  do_initialization(0,0) ;
  {
    file_records *fa = open_and_read_pdb(STRG_AFTER_OPT_W_ENV("ia","ina.pdb"),0);
    file_records *fb = open_and_read_pdb(STRG_AFTER_OPT_W_ENV("ib","inb.pdb"),0);
    if (OPT("VerifyRadii")) {
      CovVDWRadiiToOccB(fa);
      CovVDWRadiiToOccB(fb);
      printf("STRUCTURE A\n");
      write_pdb_file(stdout,fa,0);
      printf("STRUCTURE B\n");
      write_pdb_file(stdout,fb,0);
    }
    
    if (OPT("hbond")) {
      double l = DoubleAfterOption(argc,argv,"lower",2.3) ;
      double u = DoubleAfterOption(argc,argv,"upper",3.6) ;
      GLOBAL_lower_thresh = l*l;
      GLOBAL_upper_thresh = u*u;
      GLOBAL_Printout = ArgvMatch(argc,argv,"Printout") ;
      GLOBAL_Summary  = !ArgvMatch(argc,argv,"NoSummary") ;
      Hbonds1to2(fa, fb); 
    } else {
      VDWCont1to2(fa, fb, 
		  DoubleAfterOption(argc,argv,"thresh",0.6)) ;
    }
  }
}