MzTabBase.h

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// Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Oliver Alka $
// $Authors: Timo Sachsenberg, Oliver Alka $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/CONCEPT/Exception.h>
#include <OpenMS/CONCEPT/LogStream.h>
 
 
#include <map>
#include <vector>
#include <list>
#include <algorithm>
 
 
namespace OpenMS
{
  enum MzTabCellStateType
  {
    MZTAB_CELLSTATE_DEFAULT,
    MZTAB_CELLSTATE_NULL,
    MZTAB_CELLSTATE_NAN,
    MZTAB_CELLSTATE_INF,
    SIZE_OF_MZTAB_CELLTYPE
  };
 
  class OPENMS_DLLAPI MzTabDouble
  {
public:
    MzTabDouble();
 
    explicit MzTabDouble(const double v);
 
    void set(const double& value);
 
    double get() const;
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    bool isNull() const;
 
    void setNull(bool b);
 
    bool isNaN() const;
 
    void setNaN();
 
    bool isInf() const;
 
    void setInf();
 
    ~MzTabDouble() = default;
 
    bool operator<(const MzTabDouble& rhs) const;
 
    bool operator==(const MzTabDouble& rhs) const;
 
protected:
    double value_;
    MzTabCellStateType state_;
  };
 
  class OPENMS_DLLAPI MzTabDoubleList
  {
public:
    MzTabDoubleList() = default;
 
    bool isNull() const;
 
    void setNull(bool b);
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    std::vector<MzTabDouble> get() const;
 
    void set(const std::vector<MzTabDouble>& entries);
 
    ~MzTabDoubleList() = default;
protected:
    std::vector<MzTabDouble> entries_;
  };
 
  class OPENMS_DLLAPI MzTabInteger
  {
public:
    MzTabInteger();
 
    explicit MzTabInteger(const int v);
 
    void set(const Int& value);
 
    Int get() const;
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    bool isNull() const;
 
    void setNull(bool b);
 
    bool isNaN() const;
 
    void setNaN();
 
    bool isInf() const;
 
    void setInf();
 
    ~MzTabInteger() = default;
protected:
    Int value_;
    MzTabCellStateType state_;
  };
 
  class OPENMS_DLLAPI MzTabIntegerList
  {
public:
    MzTabIntegerList() = default;
 
    bool isNull() const;
 
    void setNull(bool b);
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    std::vector<MzTabInteger> get() const;
 
    void set(const std::vector<MzTabInteger>& entries);
 
    ~MzTabIntegerList() = default;
protected:
    std::vector<MzTabInteger> entries_;
  };
 
  class OPENMS_DLLAPI MzTabBoolean
  {
public:
    MzTabBoolean();
 
    bool isNull() const;
 
    void setNull(bool b);
 
    explicit MzTabBoolean(bool v);
 
    void set(const bool& value);
 
    Int get() const;
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    ~MzTabBoolean() = default;
protected:
    int value_;
  };
 
  class OPENMS_DLLAPI MzTabString
  {
public:
    MzTabString();
 
    explicit MzTabString(const String& s);
 
    bool isNull() const;
 
    void setNull(bool b);
 
    void set(const String& value);
 
    String get() const;
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    ~MzTabString() = default;
protected:
    String value_;
  };
 
  typedef std::pair<String, MzTabString> MzTabOptionalColumnEntry; //<  column name (not null able), value (null able)
 
  class OPENMS_DLLAPI MzTabParameter
  {
  public:
    MzTabParameter();
 
    bool isNull() const;
 
    void setNull(bool b);
 
    void setCVLabel(const String& CV_label);
 
    void setAccession(const String& accession);
 
    void setName(const String& name);
 
    void setValue(const String& value);
 
    String getCVLabel() const;
 
    String getAccession() const;
 
    String getName() const;
 
    String getValue() const;
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    ~MzTabParameter() = default;
  protected:
    String CV_label_;
    String accession_;
    String name_;
    String value_;
  };
 
  class OPENMS_DLLAPI MzTabParameterList
  {
  public:
    MzTabParameterList() = default;
 
    bool isNull() const;
 
    void setNull(bool b);
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    std::vector<MzTabParameter> get() const;
 
    void set(const std::vector<MzTabParameter>& parameters);
 
    ~MzTabParameterList() = default;
 
  protected:
    std::vector<MzTabParameter> parameters_;
  };
 
  class OPENMS_DLLAPI MzTabStringList
  {
  public:
    MzTabStringList();
 
    bool isNull() const;
 
    void setNull(bool b);
 
    void setSeparator(char sep);
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    std::vector<MzTabString> get() const;
 
    void set(const std::vector<MzTabString>& entries);
 
    ~MzTabStringList() = default;
  protected:
    std::vector<MzTabString> entries_;
    char sep_;
  };
 
  class OPENMS_DLLAPI MzTabSpectraRef
  {
  public:
    MzTabSpectraRef();
 
    bool isNull() const;
 
    void setNull(bool b);
 
    void setMSFile(Size index);
 
    void setSpecRef(const String& spec_ref);
 
    String getSpecRef() const;
 
    Size getMSFile() const;
 
    void setSpecRefFile(const String& spec_ref);
 
    String toCellString() const;
 
    void fromCellString(const String& s);
 
    ~MzTabSpectraRef() = default;
  protected:
    Size ms_run_; //< number is specified in the meta data section.
    String spec_ref_;
  };
 
  // MTD
  struct OPENMS_DLLAPI MzTabSoftwareMetaData
  {
    MzTabParameter software;
    std::map<Size, MzTabString> setting;
  };
 
  struct OPENMS_DLLAPI MzTabSampleMetaData
  {
    MzTabString description;
    std::map<Size, MzTabParameter> species;
    std::map<Size, MzTabParameter> tissue;
    std::map<Size, MzTabParameter> cell_type;
    std::map<Size, MzTabParameter> disease;
    std::map<Size, MzTabParameter> custom;
  };
 
  struct OPENMS_DLLAPI MzTabCVMetaData
  {
    MzTabString label;
    MzTabString full_name;
    MzTabString version;
    MzTabString url;
  };
 
  struct OPENMS_DLLAPI MzTabInstrumentMetaData
  {
    MzTabParameter name;
    MzTabParameter source;
    std::map<Size, MzTabParameter> analyzer;
    MzTabParameter detector;
  };
 
  struct OPENMS_DLLAPI MzTabContactMetaData
  {
    MzTabString name;
    MzTabString affiliation;
    MzTabString email;
  };
 
  class OPENMS_DLLAPI MzTabBase
  {
  public:
    MzTabBase() = default;
    virtual ~MzTabBase() = default;
 
  protected:
    template <typename SectionRows>
    std::vector<String> getOptionalColumnNames_(const SectionRows& rows) const
    {
      // vector is used to preserve the column order
      std::vector<String> names;
      for (typename SectionRows::const_iterator it = rows.begin(); it != rows.end(); ++it)
      {
        for (auto it_opt = it->opt_.cbegin(); it_opt != it->opt_.cend(); ++it_opt)
        {
          if (std::find(names.begin(), names.end(), it_opt->first) == names.end())
          {
            names.push_back(it_opt->first);
          }
        }
      }
      return names;
    }
  };
} // namespace OpenMS