# include "fit.h"

int EquivSelectCA(file_records *f1, file_records *f2, TokenizeData *d)
{
  int nsel = 0;
  while ((TokenizeLine(d) != NULL) && !(StrEq(d->T[1],"{"))) ;

  FlagOnEverywhere(f1,FLAG_1_DESELECT|FLAG_2_DESELECT);
  FlagOnEverywhere(f2,FLAG_1_DESELECT|FLAG_2_DESELECT);
  
  while ((TokenizeLine(d) != NULL) && !(StrEq(d->T[1],"}"))) {
    int r1 = d->D[1] ;
    int r2 = d->D[2] ;
    residue_record * r;

    {
      r=f1->FirstResidue ; 
      while (r1 != r->number) {
	r=r->next ;
	if (r == NULL) {
	  STDERR("r == NULL ; You are reaching into the void for structure 1.");
	  exit(1);
	}
      }
      SWITCH_OFF(r->ca,IGNORE_ATOM);
      SWITCH_OFF(r->ca,DONT_CALCULATE_ATOM);
    }
    {
      r=f2->FirstResidue ; 
      while (r2 != r->number) {
	r=r->next ;
	if (r == NULL) {
	  STDERR("r == NULL ; You are reaching into the void for structure 2.");
	  exit(1);
	}
      }
      SWITCH_OFF(r->ca,IGNORE_ATOM);
      SWITCH_OFF(r->ca,DONT_CALCULATE_ATOM);
    }
    nsel++ ;
    fprintf(stderr,"Equivalenced CA %3d:  %-4d  %-4d\n",nsel,r1,r2);
  }
  return nsel ;
}

int NSelectCA(file_records * f, TokenizeData *d)
{
  int nsel = 0;
  while ((TokenizeLine(d) != NULL) && !(StrEq(d->T[1],"{"))) ;

  FlagOnEverywhere(f,FLAG_1_DESELECT|FLAG_2_DESELECT);

  while ((TokenizeLine(d) != NULL) && !(StrEq(d->T[1],"}"))) {
    int from = d->D[1] ;
    int to = d->D[2] ;
    char chain = (StrEq(d->T[3],"-") || d->T[3] == NULL  ?
		  ' ' : d->T[3][0]);
    
    residue_record * r;

    fprintf(stderr,"          : %c%-4d - %c%-4d\n",chain,from,chain,to);
    for (r=f->FirstResidue ; r != NULL ; r=r->next)
      if (chain == r->chain &&
	  from <= r->number && r->number <= to) {
	SWITCH_OFF(r->ca,IGNORE_ATOM);
	SWITCH_OFF(r->ca,DONT_CALCULATE_ATOM);
	nsel++ ;
      }
  }
  return nsel ;
}

void SelectCA(file_records * f, TokenizeData *d)
{
  
  while ((TokenizeLine(d) != NULL) && !(StrEq(d->T[1],"{"))) ;

  DeselectFile(f);

  while ((TokenizeLine(d) != NULL) && !(StrEq(d->T[1],"}"))) {
    int from = d->D[1] ;
    int to = d->D[2] ;
    char chain = (StrEq(d->T[3],"_") || d->T[3] == NULL  ?
		  ' ' : d->T[3][0]);
    residue_record * r;

    fprintf(stderr,"          : %c%-4d - %c%-4d\n",chain,from,chain,to);
    for (r=f->FirstResidue ; r != NULL ; r=r->next)
      if (chain == r->chain &&
	  from <= r->number && r->number <= to) {
	SWITCH_OFF(r->ca,IGNORE_ATOM);
	SWITCH_OFF(r->ca,DONT_CALCULATE_ATOM);
#       ifdef OFF
	write_pdb_record(stdout,r->ca,0);
#       endif	
      }
  }
}