TorsionBinIO.cc

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// This file is part of the Rosetta software suite and is made available under license.
// The Rosetta software is developed by the contributing members of the Rosetta Commons consortium.
// (C) 199x-2009 Rosetta Commons participating institutions and developers.
// For more information, see http://www.rosettacommons.org/.

/// @file   protocols/frag_picker/TorsionBinIO.cc
/// @brief
/// @author James Thompson

// unit headers
#include <protocols/frag_picker/TorsionBinIO.hh>

// project headers
#include <core/types.hh>
#include <basic/Tracer.hh>

// utility headers
#include <utility/exit.hh>

#include <iostream>
#include <string>

namespace protocols {
namespace frag_picker {

using namespace core;

static basic::Tracer tracer("protocols.frag_picker.TorsionBinIO");

TorsionBinIO::TorsionBinIO() {
  bin_names_.push_back( 'A' );
  bin_names_.push_back( 'B' );
  bin_names_.push_back( 'E' );
  bin_names_.push_back( 'G' );
  bin_names_.push_back( 'O' );
}

void TorsionBinIO::read(
  std::istream & input
) {
  using core::Real;
  using std::string;
  using utility::vector1;
  using std::istringstream;

  string line;
  getline( input, line );
  tracer.Debug << "read header " << line << std::endl;

  probs_.clear();
  sequence_.clear();
  while( getline( input, line ) ) {
    if ( line.substr(0,1) == "#" ) continue;
    istringstream line_stream( line );
    tracer.Debug << "line " << line << std::endl;

    char aa;
    Size resi;
    vector1< Real > per_residue_probs( bin_names_.size(), 0.0 );
    line_stream >> resi;
    line_stream >> aa;
    sequence_ += aa;
    for ( Size ii = 1, n_bins = bin_names_.size(); ii <= n_bins; ++ii ) {
      line_stream >> per_residue_probs[ii];
    }
    if ( line_stream.fail() ) {
      utility_exit_with_message( "Error reading in TorsionBinIO::read()!" );
    }
    runtime_assert( per_residue_probs.size() == bin_names_.size() );
    probs_.push_back( per_residue_probs );
  }
}

void TorsionBinIO::write( std::ostream & output ) {
  using core::Real;
  using utility::vector1;

  output << "resi aa ";
  for ( vector1< char >::const_iterator it = bin_names_.begin(),
        end = bin_names_.end(); it != end; ++it
  ) {
    output << *it;
    if ( it + 1 != end ) output << ' ';
  }
  output << std::endl;

  Size seq_idx(1);
  for ( vector1< vector1< Real > >::const_iterator row_it = probs_.begin(),
        row_end = probs_.end(); row_it != row_end; ++row_it
  ) {
    output << seq_idx << ' ' << sequence_[seq_idx-1] << ' ';
    for ( vector1< Real >::const_iterator it = row_it->begin(),
          end = row_it->end(); it != end; ++it
    ) {
      output << *it;
      if ( it + 1 != end ) output << ' ';
    }
    output << std::endl;
    seq_idx++;
  }
}

utility::vector1< core::Real > const &
TorsionBinIO::prof_row( Size const idx ) const {
  runtime_assert( idx <= probs_.size() );
  return probs_[ idx ];
}

utility::vector1< utility::vector1< core::Real > > const & TorsionBinIO::matrix() const {
  return probs_;
}

Size TorsionBinIO::nrows() const {
  return probs_.size();
}

} // frag_picker
} // protocols