QCBase.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2020.
//
// 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: Chris Bielow $
// $Authors: Chris Bielow, Tom Waschischeck $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/DATASTRUCTURES/String.h>
 
#include <ostream>
#include <map>
 
namespace OpenMS
{
  class MSExperiment;
  class ConsensusMap;
 
  class OPENMS_DLLAPI QCBase
  {
  public:
    enum class Requires 
      : UInt64 // 64 bit unsigned type for bitwise and/or operations (see below)
    {
      NOTHING,      //< default, does not require anything
      RAWMZML,      //< mzML file is required
      POSTFDRFEAT,  //< Features with FDR-filtered pepIDs
      PREFDRFEAT,   //< Features with unfiltered pepIDs
      CONTAMINANTS, //< Contaminant Database
      TRAFOALIGN,   //< transformationXMLs for RT-alignment
      SIZE_OF_REQUIRES
    };
    static const std::string names_of_requires[];
 
    class OPENMS_DLLAPI SpectraMap
    {
    public:
      SpectraMap() = default;
 
      explicit SpectraMap(const MSExperiment& exp);
 
      ~SpectraMap() = default;
 
      void calculateMap(const MSExperiment& exp);
 
      UInt64 at(const String& identifier) const;
 
      void clear();
      
      bool empty() const;
      
      Size size() const;
 
    private:
      std::map<String, UInt64> nativeid_to_index_; //< nativeID to index
    };
 
 
    class Status
    {
    public:
      friend std::ostream& operator<<(std::ostream& os, const Status& stat);
 
      Status() : value_(0)
      {}
 
      explicit Status(const Requires& req)
      {
        value_ = getPow_(req);
      }
 
      Status(const Status& stat)
      {
        value_ = stat.value_;
      }
 
      Status& operator=(const Requires& req)
      {
        value_ = getPow_(req);
        return *this;
      }
 
      ~Status() = default;
 
      // Equal
      bool operator==(const Status& stat) const
      {
        return (value_ == stat.value_);
      }
 
      Status& operator=(const Status& stat) = default;
      // Bitwise operators
 
      Status operator&(const Requires& req) const
      {
        Status s = *this;
        s.value_ &= getPow_(req);
        return s;
      }
 
      Status operator&(const Status& stat) const
      {
        Status s = *this;
        s.value_ &= stat.value_;
        return s;
      }
 
      Status& operator&=(const Requires& req)
      {
        value_ &= getPow_(req);
        return *this;
      }
 
      Status& operator&=(const Status& stat)
      {
        value_ &= stat.value_;
        return *this;
      }
 
      Status operator|(const Requires& req) const
      {
        Status s = *this;
        s.value_ |= getPow_(req);
        return s;
      }
 
      Status operator|(const Status& stat) const
      {
        Status s = *this;
        s.value_ |= stat.value_;
        return s;
      }
 
      Status& operator|=(const Requires& req)
      {
        value_ |= getPow_(req);
        return *this;
      }
 
      Status& operator|=(const Status& stat)
      {
        value_ |= stat.value_;
        return *this;
      }
 
      bool isSuperSetOf(const Status& stat) const
      {
        return ((value_ & stat.value_) == stat.value_);
      }
 
    private:
      UInt64 getPow_(const Requires& r) const
      {
        return UInt64(1) << UInt64 (r);
      }
      UInt64 value_;
    };
 
    virtual const String& getName() const = 0;
    
    virtual Status requires() const = 0;
 
 
    bool isRunnable(const Status& s) const;
 
    static bool isLabeledExperiment(const ConsensusMap& cm);
 
    template <typename MAP>
    static bool hasPepID(const MAP& fmap)
    {
      if (!fmap.getUnassignedPeptideIdentifications().empty()) return true;
 
      for (const auto& features : fmap)
      {
        if (!features.getPeptideIdentifications().empty()) return true;
      }
      return false;
    }
  };
 
  inline std::ostream& operator<<(std::ostream& os, const QCBase::Status& stat)
  {
    return os << stat.value_;
  }
}