MorphologicalFilter.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// $Maintainer: Clemens Groepl $
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#ifndef OPENMS_FILTERING_BASELINE_MORPHOLOGICALFILTER_H
#define OPENMS_FILTERING_BASELINE_MORPHOLOGICALFILTER_H

#include <OpenMS/CONCEPT/ProgressLogger.h>
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
#include <OpenMS/KERNEL/MSExperiment.h>
#include <OpenMS/MATH/MISC/MathFunctions.h>

#include <algorithm>
#include <iterator>

namespace OpenMS
{

  namespace Internal
  {
    template <typename IteratorT>
    class /* OPENMS_DLLAPI */ IntensityIteratorWrapper :
      public std::iterator<std::forward_iterator_tag, typename IteratorT::value_type::IntensityType>
    {
public:
      typedef typename IteratorT::value_type::IntensityType value_type;
      typedef typename IteratorT::value_type::IntensityType & reference;
      typedef typename IteratorT::value_type::IntensityType * pointer;
      typedef typename IteratorT::difference_type difference_type;

      IntensityIteratorWrapper(const IteratorT & rhs) :
        base(rhs)
      {
      }

      value_type operator*()
      {
        return base->getIntensity();
      }

      template <typename IndexT>
      value_type operator[](const IndexT & index)
      {
        return base[index].getIntensity();
      }

      difference_type operator-(IntensityIteratorWrapper & rhs) const
      {
        return base - rhs.base;
      }

      IntensityIteratorWrapper & operator++()
      {
        ++base;
        return *this;
      }

      IntensityIteratorWrapper operator++(int)
      {
        IteratorT tmp = *this;
        ++(*this);
        return tmp;
      }

      bool operator==(const IntensityIteratorWrapper & rhs) const
      {
        return base == rhs.base;
      }

      bool operator!=(const IntensityIteratorWrapper & rhs) const
      {
        return base != rhs.base;
      }

protected:
      IteratorT base;
    };

    template <typename IteratorT>
    IntensityIteratorWrapper<IteratorT> intensityIteratorWrapper(const IteratorT & rhs)
    {
      return IntensityIteratorWrapper<IteratorT>(rhs);
    }

  }

  class OPENMS_DLLAPI MorphologicalFilter :
    public ProgressLogger,
    public DefaultParamHandler
  {
public:

    MorphologicalFilter() :
      ProgressLogger(),
      DefaultParamHandler("MorphologicalFilter"),
      struct_size_in_datapoints_(0)
    {
      //structuring element
      defaults_.setValue("struc_elem_length", 3.0, "Length of the structuring element. This should be wider than the expected peak width.");
      defaults_.setValue("struc_elem_unit", "Thomson", "The unit of the 'struct_elem_length'.");
      defaults_.setValidStrings("struc_elem_unit", StringList::create("Thomson,DataPoints"));
      //methods
      defaults_.setValue("method", "tophat", "Method to use, the default is 'tophat'.  Do not change this unless you know what you are doing.  The other methods may be useful for tuning the parameters, see the class documentation of MorpthologicalFilter.");
      defaults_.setValidStrings("method", StringList::create("identity,erosion,dilation,opening,closing,gradient,tophat,bothat,erosion_simple,dilation_simple"));

      defaultsToParam_();
    }

    virtual ~MorphologicalFilter()
    {
    }

    template <typename InputIterator, typename OutputIterator>
    void filterRange(InputIterator input_begin, InputIterator input_end, OutputIterator output_begin)
    {
      // the buffer is static only to avoid reallocation
      static std::vector<typename InputIterator::value_type> buffer;
      const UInt size = input_end - input_begin;

      //determine the struct size in data points if not already set
      if (struct_size_in_datapoints_ == 0)
      {
        struct_size_in_datapoints_ = (UInt)(DoubleReal)param_.getValue("struc_elem_length");
      }

      //apply the filtering
      String method = param_.getValue("method");
      if (method == "identity")
      {
        std::copy(input_begin, input_end, output_begin);
      }
      else if (method == "erosion")
      {
        applyErosion_(struct_size_in_datapoints_, input_begin, input_end, output_begin);
      }
      else if (method == "dilation")
      {
        applyDilation_(struct_size_in_datapoints_, input_begin, input_end, output_begin);
      }
      else if (method == "opening")
      {
        if (buffer.size() < size) buffer.resize(size);
        applyErosion_(struct_size_in_datapoints_, input_begin, input_end, buffer.begin());
        applyDilation_(struct_size_in_datapoints_, buffer.begin(), buffer.begin() + size, output_begin);
      }
      else if (method == "closing")
      {
        if (buffer.size() < size) buffer.resize(size);
        applyDilation_(struct_size_in_datapoints_, input_begin, input_end, buffer.begin());
        applyErosion_(struct_size_in_datapoints_, buffer.begin(), buffer.begin() + size, output_begin);
      }
      else if (method == "gradient")
      {
        if (buffer.size() < size) buffer.resize(size);
        applyErosion_(struct_size_in_datapoints_, input_begin, input_end, buffer.begin());
        applyDilation_(struct_size_in_datapoints_, input_begin, input_end, output_begin);
        for (UInt i = 0; i < size; ++i) output_begin[i] -= buffer[i];
      }
      else if (method == "tophat")
      {
        if (buffer.size() < size) buffer.resize(size);
        applyErosion_(struct_size_in_datapoints_, input_begin, input_end, buffer.begin());
        applyDilation_(struct_size_in_datapoints_, buffer.begin(), buffer.begin() + size, output_begin);
        for (UInt i = 0; i < size; ++i) output_begin[i] = input_begin[i] - output_begin[i];
      }
      else if (method == "bothat")
      {
        if (buffer.size() < size) buffer.resize(size);
        applyDilation_(struct_size_in_datapoints_, input_begin, input_end, buffer.begin());
        applyErosion_(struct_size_in_datapoints_, buffer.begin(), buffer.begin() + size, output_begin);
        for (UInt i = 0; i < size; ++i) output_begin[i] = input_begin[i] - output_begin[i];
      }
      else if (method == "erosion_simple")
      {
        applyErosionSimple_(struct_size_in_datapoints_, input_begin, input_end, output_begin);
      }
      else if (method == "dilation_simple")
      {
        applyDilationSimple_(struct_size_in_datapoints_, input_begin, input_end, output_begin);
      }

      struct_size_in_datapoints_ = 0;
    }

    template <typename PeakType>
    void filter(MSSpectrum<PeakType> & spectrum)
    {
      //make sure the right peak type is set
      spectrum.setType(SpectrumSettings::RAWDATA);

      //Abort if there is nothing to do
      if (spectrum.size() <= 1) return;

      //Determine structuring element size in datapoints (depending on the unit)
      if ((String)(param_.getValue("struc_elem_unit")) == "Thomson")
      {
        struct_size_in_datapoints_ =
          UInt(
            ceil(
              (DoubleReal)(param_.getValue("struc_elem_length"))
              *
              DoubleReal(spectrum.size() - 1)
              /
              (spectrum.back().getMZ() - spectrum.begin()->getMZ())
              )
            );
      }
      else
      {
        struct_size_in_datapoints_ = (UInt)(DoubleReal)param_.getValue("struc_elem_length");
      }
      //make it odd (needed for the algorithm)
      if (!Math::isOdd(struct_size_in_datapoints_)) ++struct_size_in_datapoints_;

      //apply the filtering and overwrite the input data
      std::vector<typename PeakType::IntensityType> output(spectrum.size());
      filterRange(Internal::intensityIteratorWrapper(spectrum.begin()),
                  Internal::intensityIteratorWrapper(spectrum.end()),
                  output.begin()
                  );

      //overwrite output with data
      for (Size i = 0; i < spectrum.size(); ++i)
      {
        spectrum[i].setIntensity(output[i]);
      }
    }

    template <typename PeakType>
    void filterExperiment(MSExperiment<PeakType> & exp)
    {
      startProgress(0, exp.size(), "filtering baseline");
      for (UInt i = 0; i < exp.size(); ++i)
      {
        filter(exp[i]);
        setProgress(i);
      }
      endProgress();
    }

protected:

    UInt struct_size_in_datapoints_;

    template <typename InputIterator, typename OutputIterator>
    void applyErosion_(Int struc_size, InputIterator input, InputIterator input_end, OutputIterator output)
    {
      typedef typename InputIterator::value_type ValueType;
      const Int size = input_end - input;
      const Int struc_size_half = struc_size / 2;           // yes, integer division

      static std::vector<ValueType> buffer;
      if (Int(buffer.size()) < struc_size) buffer.resize(struc_size);

      Int anchor;           // anchoring position of the current block
      Int i;                // index relative to anchor, used for 'for' loops
      Int ii = 0;           // input index
      Int oi = 0;           // output index
      ValueType current;           // current value

      // we just can't get the case distinctions right in these cases, resorting to simple method.
      if (size <= struc_size || size <= 5)
      {
        applyErosionSimple_(struc_size, input, input_end, output);
        return;
      }
      {
        // lower margin area
        current = input[0];
        for (++ii; ii < struc_size_half; ++ii) if (current > input[ii]) current = input[ii];
        for (; ii < std::min(Int(struc_size), size); ++ii, ++oi)
        {
          if (current > input[ii]) current = input[ii];
          output[oi] = current;
        }
      }
      {
        // middle (main) area
        for (anchor = struc_size;
             anchor <= size - struc_size;
             anchor += struc_size
             )
        {
          ii = anchor;
          current = input[ii];
          buffer[0] = current;
          for (i = 1; i < struc_size; ++i, ++ii)
          {
            if (current > input[ii]) current = input[ii];
            buffer[i] = current;
          }
          ii = anchor - 1;
          oi = ii + struc_size_half;
          current = input[ii];
          for (i = 1; i < struc_size; ++i, --ii, --oi)
          {
            if (current > input[ii]) current = input[ii];
            output[oi] = std::min(buffer[struc_size - i], current);
          }
          if (current > input[ii]) current = input[ii];
          output[oi] = current;
        }
      }
      {
        // higher margin area
        ii = size - 1;
        oi = ii;
        current = input[ii];
        for (--ii; ii >= size - struc_size_half; --ii) if (current > input[ii]) current = input[ii];
        for (; ii >= std::max(size - Int(struc_size), 0); --ii, --oi)
        {
          if (current > input[ii]) current = input[ii];
          output[oi] = current;
        }
        anchor = size - struc_size;
        ii = anchor;
        current = input[ii];
        buffer[0] = current;
        for (i = 1; i < struc_size; ++i, ++ii)
        {
          if (current > input[ii]) current = input[ii];
          buffer[i] = current;
        }
        ii = anchor - 1;
        oi = ii + struc_size_half;
        current = input[ii];
        for (i = 1; (ii >= 0) && (i < struc_size); ++i, --ii, --oi)
        {
          if (current > input[ii]) current = input[ii];
          output[oi] = std::min(buffer[struc_size - i], current);
        }
        if (ii >= 0)
        {
          if (current > input[ii]) current = input[ii];
          output[oi] = current;
        }
      }
      return;
    }

    template <typename InputIterator, typename OutputIterator>
    void applyDilation_(Int struc_size, InputIterator input, InputIterator input_end, OutputIterator output)
    {
      typedef typename InputIterator::value_type ValueType;
      const Int size = input_end - input;
      const Int struc_size_half = struc_size / 2;           // yes, integer division

      static std::vector<ValueType> buffer;
      if (Int(buffer.size()) < struc_size) buffer.resize(struc_size);

      Int anchor;           // anchoring position of the current block
      Int i;                // index relative to anchor, used for 'for' loops
      Int ii = 0;           // input index
      Int oi = 0;           // output index
      ValueType current;           // current value

      // we just can't get the case distinctions right in these cases, resorting to simple method.
      if (size <= struc_size || size <= 5)
      {
        applyDilationSimple_(struc_size, input, input_end, output);
        return;
      }
      {
        // lower margin area
        current = input[0];
        for (++ii; ii < struc_size_half; ++ii) if (current < input[ii]) current = input[ii];
        for (; ii < std::min(Int(struc_size), size); ++ii, ++oi)
        {
          if (current < input[ii]) current = input[ii];
          output[oi] = current;
        }
      }
      {
        // middle (main) area
        for (anchor = struc_size;
             anchor <= size - struc_size;
             anchor += struc_size
             )
        {
          ii = anchor;
          current = input[ii];
          buffer[0] = current;
          for (i = 1; i < struc_size; ++i, ++ii)
          {
            if (current < input[ii]) current = input[ii];
            buffer[i] = current;
          }
          ii = anchor - 1;
          oi = ii + struc_size_half;
          current = input[ii];
          for (i = 1; i < struc_size; ++i, --ii, --oi)
          {
            if (current < input[ii]) current = input[ii];
            output[oi] = std::max(buffer[struc_size - i], current);
          }
          if (current < input[ii]) current = input[ii];
          output[oi] = current;
        }
      }
      {
        // higher margin area
        ii = size - 1;
        oi = ii;
        current = input[ii];
        for (--ii; ii >= size - struc_size_half; --ii) if (current < input[ii]) current = input[ii];
        for (; ii >= std::max(size - Int(struc_size), 0); --ii, --oi)
        {
          if (current < input[ii]) current = input[ii];
          output[oi] = current;
        }
        anchor = size - struc_size;
        ii = anchor;
        current = input[ii];
        buffer[0] = current;
        for (i = 1; i < struc_size; ++i, ++ii)
        {
          if (current < input[ii]) current = input[ii];
          buffer[i] = current;
        }
        ii = anchor - 1;
        oi = ii + struc_size_half;
        current = input[ii];
        for (i = 1; (ii >= 0) && (i < struc_size); ++i, --ii, --oi)
        {
          if (current < input[ii]) current = input[ii];
          output[oi] = std::max(buffer[struc_size - i], current);
        }
        if (ii >= 0)
        {
          if (current < input[ii]) current = input[ii];
          output[oi] = current;
        }
      }
      return;
    }

    template <typename InputIterator, typename OutputIterator>
    void applyErosionSimple_(Int struc_size, InputIterator input_begin, InputIterator input_end, OutputIterator output_begin)
    {
      typedef typename InputIterator::value_type ValueType;
      const int size = input_end - input_begin;
      const Int struc_size_half = struc_size / 2;           // yes integer division
      for (Int index = 0; index < size; ++index)
      {
        Int start = std::max(0, index - struc_size_half);
        Int stop  = std::min(size - 1, index + struc_size_half);
        ValueType value = input_begin[start];
        for (Int i = start + 1; i <= stop; ++i) if (value > input_begin[i]) value = input_begin[i];
        output_begin[index] = value;
      }
      return;
    }

    template <typename InputIterator, typename OutputIterator>
    void applyDilationSimple_(Int struc_size, InputIterator input_begin, InputIterator input_end, OutputIterator output_begin)
    {
      typedef typename InputIterator::value_type ValueType;
      const int size = input_end - input_begin;
      const Int struc_size_half = struc_size / 2;           // yes integer division
      for (Int index = 0; index < size; ++index)
      {
        Int start = std::max(0, index - struc_size_half);
        Int stop   = std::min(size - 1, index + struc_size_half);
        ValueType value = input_begin[start];
        for (Int i = start + 1; i <= stop; ++i) if (value < input_begin[i]) value = input_begin[i];
        output_begin[index] = value;
      }
      return;
    }

private:

    MorphologicalFilter(const MorphologicalFilter & source);

  };

} // namespace OpenMS

#endif