Sequence.hh

/****************************************************************************
 *
 *     AGE -- Alignment with Gap Excision
 *     Copyright (C)  Alexej Abyzov
 *                
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the Creative Commons license
 * (Attribution-NonCommerical).
 * See terms at http://creativecommons.org/licenses/by-nc/2.5/legalcode
 *
 * Author: Alexej Abyzov
 */

#ifndef __SEQUENCE_HH__
#define __SEQUENCE_HH__

// Nucleotide sequence
// Allowed nucleotides are A,C,T,G,U,X,N in both lower and upper cases
// Other nucleotides (R,Y,M,K,S,W,B,D,H,V) are also alowed by not scored
class Sequence
{
private:
  string _seq,_name;
  int    _start;     // 1 based coordinate
  bool   _reverse;

public:
  inline string &name()      { return _name; }
  inline string &sequence()  { return _seq; }
  inline int     start()     { return _start; }  // 1 based coordinate
  inline int     reverse()   { return _reverse; }

public:
  Sequence(const char *seq) : _seq(seq), _name(""),_start(1),_reverse(false),
			      _next(NULL),_prev(NULL)
  {
    string ret = "";
    for (int i = 0;i < _seq.length();i++) {
      char c = _seq[i];
      if (c == ' ') continue;      // Space
      else if (isNuc(c)) ret += c; // Nucleotide
      else if (!isGap(c)) {        // Gap
	cerr<<"Unrecognized nucleotide '"<<c<<"' in sequence."<<endl;
	_seq = "";
	return;
      }
    }
    _seq = ret;
  }
  
  Sequence(string file,int start = 1,int end = -1) : _seq(""), _name(""),
						     _start(1),_reverse(false),
						     _next(NULL),_prev(NULL)
  {
    if (start > 0 && end > 0 && end < start) {
      cerr<<"Invalid coordinates ("<<start<<", "<<end<<"). "
	  <<"Start is larger than end."<<endl;
      cerr<<"No sequence read!"<<endl;
      return;
    }

    if (start >= 0) _start = start;

    ifstream in(file.c_str());
    if (!in) {
      cerr<<"Can't open input file '"<<file<<"'."<<endl;
      return;
    }

    char l[1024];
    while (!in.eof() && in.getline(l,1024)) 
      if (in.gcount() != 0) break;

    if (l[0] != '>') {
      cerr<<"Can't find fasta header in the file '"<<file<<"'."<<endl;
      return;
    }
    _name = &l[1];

    string line = "";
    int n_passed = 0;
    while (!in.eof()) {
      in>>line;
      string checked = "";
      for (int i = 0;i < line.length();i++) {
	char c = line[i];
	if (c == ' ') continue;          // Space
	else if (isNuc(c)) checked += c; // Nucleotide
	else if (!isGap(c)) {            // Gap
	  cerr<<"Unrecognized nucleotide '"<<c
	      <<"' in file '"<<file<<"'."<<endl;
	  _seq = "";
	  return;
	}
      }
      int n_checked = checked.length();
      if (n_checked == 0) break;

      int new_passed = n_passed + n_checked;
      if (new_passed < start) { ; // Not reached start yet
      } else if (n_passed < start && new_passed >= end) { // Spans whole region
	_seq += checked.substr(start - n_passed - 1,end - start + 1);
      } else if (n_passed < start && new_passed >= start) { // Spans start only
	_seq += checked.substr(start - n_passed - 1);
      } else if (end < start) { // No end
	_seq += checked;
      } else if (new_passed < end) { // Not reached end yet
	_seq += checked;
      } else if (n_passed < end && new_passed >= end) { // Spans end only
	_seq += checked.substr(0,end - n_passed);
      }
      n_passed = new_passed;
      line = "";
    }
    in.close();
  }
private:
  Sequence(string &seq,string &name,int start,bool rev) : _seq(seq),
							  _name(name),
							  _start(start),
							  _reverse(rev),
							  _next(NULL),
							  _prev(NULL)
  {}

public:
  Sequence *clone()
  {
    return new Sequence(_seq,_name,_start,_reverse);
  }

  static char complement(char c)
  {
    if      (c == 'a') return 't';
    else if (c == 'c') return 'g';
    else if (c == 't') return 'a';
    else if (c == 'g') return 'c';
    else if (c == 'A') return 'T';
    else if (c == 'C') return 'G';
    else if (c == 'T') return 'A';
    else if (c == 'G') return 'C';
    else if (c == 'u') return 'a';
    else if (c == 'U') return 'A';
    return c;
  }

  static bool isNuc(char c)
  {
    if (c == 'A' || c == 'a' ||
	c == 'T' || c == 't' ||
	c == 'C' || c == 'c' ||
	c == 'G' || c == 'g' ||
	c == 'U' || c == 'u' ||
	c == 'X' || c == 'x' ||
	c == 'N' || c == 'n' ||
	c == 'R' || c == 'r' ||
	c == 'Y' || c == 'y' ||
	c == 'M' || c == 'm' ||
	c == 'K' || c == 'k' ||
	c == 'S' || c == 's' ||
	c == 'W' || c == 'w' ||
	c == 'B' || c == 'b' ||
	c == 'D' || c == 'd' ||
	c == 'H' || c == 'h' ||
	c == 'V' || c == 'v') return true;
    return false;
  }

  static char gap() { return '-'; }

  static bool isGap(char c)
  {
    if (c == '-') return true;
    if (c == ' ') return true;
    return false;
  }

  static bool sameNuc(char a,char b)
  {
    char aa = toupper(a), bb = toupper(b);
    if ((aa == 'A' || aa == 'C' || aa == 'T' || aa == 'G' || aa == 'U') &&
	(bb == 'A' || bb == 'C' || bb == 'T' || bb == 'G' || bb == 'U') &&
	aa == bb) return true;
    return false;
  }

  void revcom()
  {
    if (_reverse) _start -= _seq.length() - 1;
    else          _start += _seq.length() - 1;
    _reverse = !_reverse;
    string ret = "";
    for (int i = _seq.length() - 1;i >= 0;i--) ret += complement(_seq.at(i));
    _seq = ret;
  }

  Sequence *substr(int start,int end) // 1 based coordinates
  {
    if (start > 0 && end > 0 && start > end) return NULL;
    if (start <= 0)                        start = 1;
    if (end   <= 0 || end > _seq.length()) end   = _seq.length();
    int s = start, e = end;
    if (_reverse) {
      s = _seq.length() - e + 1;
      e = _seq.length() - s + 1;
    }
    string tmp = "";
    if (_seq.length() > 0) tmp = _seq.substr(s - 1,e - s + 1);
    return new Sequence(tmp,_name,_start + start - 1,_reverse);
  }

  // Next and previous sequences
private:
  Sequence *_next,*_prev;

public:
  Sequence *next() { return _next; }
  Sequence *prev() { return _prev; }

  // Adding sequence before
  bool addBefore(Sequence *newSequence)
  {
    // Check if input is good                                                
    if (!newSequence) return false;

    // Check if same object                                                  
    if (newSequence == this) return false;

    // Check if the call comes from addAfter                                 
    if (newSequence->next() == this && !_prev) {
      _prev = newSequence;
      return true;
    }

    // Chack if they are already paired                                      
    if (newSequence->prev() == this && _next == newSequence) return true;

    // Check if it can be added                                              
    if (_prev) return false;
    if (newSequence->next()) return false;
    if (newSequence->prev()) return false;

    _prev = newSequence; // Set previous

    if (!newSequence->addAfter(this)) { // Update next for newSequence
      _prev = NULL;
      return false;
    }
    return true;
  }

  // Adding atom after                                                         
  bool addAfter(Sequence *newSequence)
  {
    // Check if not null                                                     
    if (!newSequence) return false;

    // Check if same object                                                  
    if (newSequence == this) return true;

    // Check if the call comes from addAfter                                 
    if (newSequence->prev() == this && !_next) {
      _next = newSequence;
      return true;
    }

    // Chack if they are already paired                                      
    if (newSequence->prev() == this && _next == newSequence) return true;

    // Check if it can be added                                              
    if (_next) return false;
    if (newSequence->next()) return false;
    if (newSequence->prev()) return false;

    _next = newSequence; // Set next

    if (!newSequence->addBefore(this)) { // Update previous for newSequence
      _next = NULL;
      return false;
    }
    return true;
  }

  static Sequence* parseSequences(string file)
  {
    Sequence *first = NULL,*last = NULL;

    ifstream in(file.c_str());
    if (!in) {
      cerr<<"Can't open input file '"<<file<<"'."<<endl;
      return first;
    }

    string name = "",seq = "";
    char *line = new char[65536];
    while (!in.eof()) {

      in.getline(line,65536);
      int n = in.gcount();
      if (n == 0) continue;

      if (line[0] == '>') {
	if (name.length() > 0) {
	  Sequence *s = new Sequence(seq,name,1,false);
	  if (first) {
	    last->addAfter(s);
	    last = s;
	  } else first = last = s;
	}
	name = &line[1];
	seq  = "";
	continue;
      }

      string checked = "";
      for (int i = 0;i < n - 1;i++) {
	char c = line[i];
	if (isNuc(c)) checked += c;
	else if (isspace(c)) ;
	else if (!isGap(c)) {
	  cerr<<"Unrecognized nucleotide '"<<c
	      <<"' in file '"<<file<<"'."<<endl;
	  seq = "";
	  name = "";
	}
      }
      seq += checked;
    }
    in.close();

    if (name.length() > 0) {
      Sequence *s = new Sequence(seq,name,1,false);
      if (first) {
	last->addAfter(s);
	last = s;
      } else first = last = s;
    }

    delete[] line;

    return first;
  }

  static void deleteSequences(Sequence *seqs)
  {
    Sequence *s = seqs;
    while (s) {
      Sequence *next = s->next();
      delete s;
      s = next;
    }
  }
};

#endif