// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
//
// This software is released under a three-clause BSD license:
//  * Redistributions of source code must retain the above copyright
//    notice, this list of conditions and the following disclaimer.
//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
//  * Neither the name of any author or any participating institution
//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: Andreas Bertsch $
// $Authors: Andreas Bertsch $
// --------------------------------------------------------------------------

#include <OpenMS/FORMAT/OMSSAXMLFile.h>
#include <OpenMS/FORMAT/TextFile.h>
#include <OpenMS/SYSTEM/File.h>
#include <OpenMS/CHEMISTRY/ModificationsDB.h>

using namespace std;

namespace OpenMS
{

  OMSSAXMLFile::OMSSAXMLFile() :
    XMLHandler("", 1.1),
    XMLFile(),
    peptide_identifications_(0)
  {
    readMappingFile_();
  }

  OMSSAXMLFile::~OMSSAXMLFile()
  {
  }

  void OMSSAXMLFile::load(const String & filename, ProteinIdentification & protein_identification, vector<PeptideIdentification> & peptide_identifications, bool load_proteins)
  {
    //Filename for error messages in XMLHandler
    file_ = filename;

    load_proteins_ = load_proteins;
    peptide_identifications_ = &peptide_identifications;

    parse_(filename, this);


    DateTime now = DateTime::now();
    String identifier("OMSSA_" + now.get());

    // post-processing
    vector<String> accessions;
    for (vector<PeptideIdentification>::iterator it = peptide_identifications.begin(); it != peptide_identifications.end(); ++it)
    {
      it->setScoreType("OMSSA");
      it->setHigherScoreBetter(false);
      it->setIdentifier(identifier);
      it->assignRanks();

      if (load_proteins)
      {
        for (vector<PeptideHit>::const_iterator pit = it->getHits().begin(); pit != it->getHits().end(); ++pit)
        {
          accessions.insert(accessions.end(), pit->getProteinAccessions().begin(), pit->getProteinAccessions().end());
        }
      }
    }

    if (load_proteins)
    {
      sort(accessions.begin(), accessions.end());
      vector<String>::const_iterator end_unique = unique(accessions.begin(), accessions.end());

      for (vector<String>::const_iterator it = accessions.begin(); it != end_unique; ++it)
      {
        ProteinHit hit;
        hit.setAccession(*it);
        protein_identification.insertHit(hit);
      }


      // E-values
      protein_identification.setHigherScoreBetter(false);
      protein_identification.setScoreType("OMSSA");
      protein_identification.setIdentifier(identifier);
    }

    // version of OMSSA is not available
    // Date of the search is not available -> set it to now
    protein_identification.setDateTime(now);
    protein_identification.setIdentifier(identifier);

    // search parameters are also not available
  }

  void OMSSAXMLFile::startElement(const XMLCh * const /*uri*/, const XMLCh * const /*local_name*/, const XMLCh * const qname, const xercesc::Attributes & /*attributes*/)
  {
    tag_ = String(sm_.convert(qname)).trim();

    if (tag_ == "MSHitSet_number")
    {
      return;
    }

    if (tag_ == "MSPepHit")
    {
      return;
    }
    if (tag_ == "MSHits")
    {
      return;
    }

    if (tag_ == "MSHitSet")
    {
      return;
    }
  }

  void OMSSAXMLFile::endElement(const XMLCh * const /*uri*/, const XMLCh * const /*local_name*/, const XMLCh * const qname)
  {
    tag_ = String(sm_.convert(qname)).trim();

    // protein hits (MSPepHits) are handled in ::characters(...)

    // end of peptide hit
    if (tag_ == "MSHits")
    {
      actual_peptide_id_.insertHit(actual_peptide_hit_);
      actual_peptide_hit_ = PeptideHit();
      tag_ = "";
      return;
    }

    // end of peptide id
    if (tag_ == "MSHitSet")
    {
      peptide_identifications_->push_back(actual_peptide_id_);
      actual_peptide_id_.assignRanks();
      actual_peptide_id_ = PeptideIdentification();
    }

    /*
    Modifications:

    <MSModHit>
        <MSModHit_site>1</MSModHit_site>
  <MSModHit_modtype>
    <MSMod>3</MSMod>
  </MSModHit_modtype>
</MSModHit>
    */
    if (tag_ == "MSModHit")
    {
      if (mods_map_.has(actual_mod_type_.toInt()) && mods_map_[actual_mod_type_.toInt()].size() > 0)
      {
        if (mods_map_[actual_mod_type_.toInt()].size() > 1)
        {
          warning(LOAD, String("Cannot determine exact type of modification of position ") + actual_mod_site_ + " in sequence " + actual_peptide_hit_.getSequence().toString() + " using modification " + actual_mod_type_ + " - using first possibility!");
        }
        AASequence pep = actual_peptide_hit_.getSequence();
        if (mods_map_[actual_mod_type_.toInt()].begin()->getTermSpecificity() == ResidueModification::N_TERM)
        {
          pep.setNTerminalModification(mods_map_[actual_mod_type_.toInt()].begin()->getFullId());
        }
        else if (mods_map_[actual_mod_type_.toInt()].begin()->getTermSpecificity() == ResidueModification::C_TERM)
        {
          pep.setCTerminalModification(mods_map_[actual_mod_type_.toInt()].begin()->getFullId());
        }
        else
        {
          pep.setModification(actual_mod_site_, mods_map_[actual_mod_type_.toInt()].begin()->getFullId());
        }
        actual_peptide_hit_.setSequence(pep);
      }
      else
      {
        warning(LOAD, String("Cannot find PSI-MOD mapping for mod -  ignoring '") + actual_mod_type_ + "'");
      }
    }

    tag_ = "";
  }

  void OMSSAXMLFile::characters(const XMLCh * const chars, const XMLSize_t /*length*/)
  {
    String value = ((String)sm_.convert(chars)).trim();
    // MSPepHit section
    // <MSPepHit_start>0</MSPepHit_start>
    // <MSPepHit_stop>8</MSPepHit_stop>
    // <MSPepHit_accession>6599</MSPepHit_accession>
    // <MSPepHit_defline>CRHU2 carbonate dehydratase (EC 4.2.1.1) II [validated] - human</MSPepHit_defline>
    // <MSPepHit_protlength>260</MSPepHit_protlength>
    // <MSPepHit_oid>6599</MSPepHit_oid>
    if (tag_ == "MSPepHit_start")
    {
      tag_ = "";
      return;
    }
    if (tag_ == "MSPepHit_stop")
    {
      tag_ = "";
      return;
    }
    if (tag_ == "MSPepHit_accession")
    {
      if (load_proteins_)
      {
        actual_peptide_hit_.addProteinAccession(value);
      }
      tag_ = "";
      return;
    }
    if (tag_ == "MSPepHit_defline")
    {
      // TODO add defline to ProteinHit?
      tag_ = "";
      return;
    }
    if (tag_ == "MSPepHit_protlength")
    {
      tag_ = "";
      return;
    }
    if (tag_ == "MSPepHit_oid")
    {
      tag_ = "";
      return;
    }

    // MSHits section
    // <MSHits_evalue>0.00336753988893542</MSHits_evalue>
    // <MSHits_pvalue>1.30819399070598e-08</MSHits_pvalue>
    // <MSHits_charge>1</MSHits_charge>
    // <MSHits_pepstring>MSHHWGYGK</MSHits_pepstring>
    // <MSHits_mass>1101492</MSHits_mass>
    // <MSHits_pepstart></MSHits_pepstart>
    // <MSHits_pepstop>H</MSHits_pepstop>
    // <MSHits_theomass>1101484</MSHits_theomass>
    if (tag_ == "MSHits_evalue")
    {
      actual_peptide_hit_.setScore(value.toDouble());
      tag_ = "";
      return;
    }
    if (tag_ == "MSHits_charge")
    {
      actual_peptide_hit_.setCharge(value.toInt());
      tag_ = "";
      return;
    }
    if (tag_ == "MSHits_pvalue")
    {
      // TODO extra field?
      //actual_peptide_hit_.setScore(value.toDouble());
      tag_ = "";
      return;
    }
    if (tag_ == "MSHits_pepstring")
    {
      AASequence seq = value.trim();
      if (mod_def_set_.getNumberOfFixedModifications() != 0 && seq.isValid())
      {
        set<String> fixed_mod_names = mod_def_set_.getFixedModificationNames();
        for (set<String>::const_iterator it = fixed_mod_names.begin(); it != fixed_mod_names.end(); ++it)
        {
          String origin = ModificationsDB::getInstance()->getModification(*it).getOrigin();
          UInt position(0);
          for (AASequence::Iterator ait = seq.begin(); ait != seq.end(); ++ait, ++position)
          {
            if (ait->getOneLetterCode() == origin)
            {
              seq.setModification(position, *it);
            }
          }
        }
      }
      actual_peptide_hit_.setSequence(seq);
      tag_ = "";
      return;
    }
    if (tag_ == "MSHits_mass")
    {
      tag_ = "";
      return;
    }
    if (tag_ == "MSHits_pepstart")
    {
      if (value != "")
      {
        actual_peptide_hit_.setAABefore(value[0]);
      }
      tag_ = "";
      return;
    }
    if (tag_ == "MSHits_pepstop")
    {
      if (value != "")
      {
        actual_peptide_hit_.setAAAfter(value[0]);
      }
      tag_ = "";
      return;
    }
    if (tag_ == "MSHits_theomass")
    {

      tag_ = "";
      return;
    }

    // modifications
    //<MSHits_mods>
    // <MSModHit>
    //  <MSModHit_site>4</MSModHit_site>
    //  <MSModHit_modtype>
    //   <MSMod>2</MSMod>
    //  </MSModHit_modtype>
    // </MSModHit>
    //</MSHits_mods>


    if (tag_ == "MSHits_mods")
    {
      actual_mod_site_ = 0;
      actual_mod_type_ = "";
    }
    if (tag_ == "MSModHit_site")
    {
      actual_mod_site_ = value.trim().toInt();
    }
    if (tag_ == "MSMod")
    {
      actual_mod_type_ = value.trim();
    }

    // m/z value and rt
    if (tag_ == "MSHitSet_ids_E")
    {
      // value might be  ( OMSSA 2.1.8): 359.213256835938_3000.13720000002_controllerType=0 controllerNumber=1 scan=4655
      //                 (<OMSSA 2.1.8): 359.213256835938_3000.13720000002
      if (value.trim() != "")
      {
        if (value.has('_'))
        {
          StringList sp = StringList::create(value, '_');
          try
          {
            actual_peptide_id_.setMetaValue("MZ", sp[0].toDouble());
            actual_peptide_id_.setMetaValue("RT", sp[1].toDouble());
          }
          catch (...)
          {
            // if exception happens to occur here, s.th. went wrong, e.g. the value does not contain numbers
          }
        }
      }
    }
  }

  void OMSSAXMLFile::readMappingFile_()
  {
    String file = File::find("CHEMISTRY/OMSSA_modification_mapping");
    TextFile infile(file);

    for (TextFile::ConstIterator it = infile.begin(); it != infile.end(); ++it)
    {
      vector<String> split;
      it->split(',', split);

      if (it->size() > 0 && (*it)[0] != '#')
      {
        Int omssa_mod_num = split[0].trim().toInt();
        if (split.size() < 2)
        {
          fatalError(LOAD, String("Invalid mapping file line: '") + *it + "'");
        }
        vector<ResidueModification> mods;
        for (Size i = 2; i != split.size(); ++i)
        {
          String tmp(split[i].trim());
          if (!tmp.empty())
          {
            ResidueModification mod = ModificationsDB::getInstance()->getModification(tmp);
            mods.push_back(mod);
            mods_to_num_[mod.getFullId()] = omssa_mod_num;
          }
        }
        mods_map_[omssa_mod_num] = mods;
      }
    }
  }

  void OMSSAXMLFile::setModificationDefinitionsSet(const ModificationDefinitionsSet & mod_set)
  {
    mod_def_set_ = mod_set;
    UInt omssa_mod_num(119);
    set<String> mod_names = mod_set.getVariableModificationNames();
    for (set<String>::const_iterator it = mod_names.begin(); it != mod_names.end(); ++it)
    {
      if (!mods_to_num_.has(*it))
      {
        mods_map_[omssa_mod_num].push_back(ModificationsDB::getInstance()->getModification(*it));
        mods_to_num_[*it] = omssa_mod_num;
        ++omssa_mod_num;
      }
    }
  }

} // namespace OpenMS