columnlabels.hh

// columnlabels.hh
//
// Classes:
//  column_labels
//  column_select
//  

#ifndef COLUMNLABELS_HEADER
#define COLUMNLABELS_HEADER

#include <string>
#include <map>

// Clipper
#include <clipper/clipper.h>

#include "controls.hh"
#include "hkl_unmerge.hh"


enum col_opt_flag {COMPULSORY, OPTIONAL};

using namespace scala;

namespace MtzIO {  
  typedef std::pair<int,int> IntPair; 
  //======================================================================
  class ColumnData {
    // crystal, dataset, Column label, type
    // xname, dname, label, type
  public:
    ColumnData(){}
    ColumnData(const std::string& Xname, const std::string& Dname,
               const std::string& Label, const std::string& Type)
      : xname(Xname), dname(Dname), label(Label), type(Type) {}

    // true if two objects have the same xname & dname
    bool SameXDname(const ColumnData& other) const;

    std::string xname;
    std::string dname;
    std::string label; // label in file
    std::string type;  // column type character
  };
  //======================================================================
  class ClipperLabelPair {
    // Clipper path & labels for pair of items eg F, SIGF
    // path is "/xname/dname/[label1, label2]"
  public:
    ClipperLabelPair(){}
    ClipperLabelPair(const std::string& Xname,
                     const std::string& Dname,
                     const std::string& Label1,
                     const std::string& Label2);

    std::string xname;
    std::string dname;
    clipper::String path;
    clipper::String label1;
    clipper::String label2;
  };
  //======================================================================
  class ColumnNumberLabel {
  public:
    ColumnNumberLabel(){}
    ColumnNumberLabel(const int& Nc,
                      const std::string& loglab, const std::string& lab,
                      const std::string& typ="")
      :number(Nc), loglabel(loglab) , label(lab), type(typ) {}

    int number;  // column number from 1
    std::string loglabel; // "logical"  label
    std::string label; // actual label in file
    std::string type;  // column type
  };
  //======================================================================
  class column_labels {
    // Stores list of columns (label, number) in map container 
    // Column number is 1->Ncolumns
  public:
    column_labels() {setup = false;}   // constructor
    // Store desired column label and COMPULSORY or OPTIONAL flag
    void add (const std::string& loglabel, const col_opt_flag& cflag);

    // Store labels for (F or I) and its sigma (eg from LABIN) if set
    // Label them as "FI" and "SIGFI"
    void addLabin(const std::string& FIlabel, const std::string& sigFIlabel);

    // return number of columns listed
    int size() const {return columns.size();}
    // return column number (from 0) for requested column
    //  = -1 if not found
    int lookup_col(const std::string& loglabel) const;
    // return actual label, "" if not in range
    std::string Label(const std::string& loglabel) const;

    // Access for setting column numbers
    void start() {pcl = columns.begin(); at_start = true;}  // start iterator
    // Returns next ColumnNumberLabel, or false if beyond end
    bool next(ColumnNumberLabel& CNL);
    // Store updated ColumnNumberLabel at current position
    void Store(ColumnNumberLabel& CNL);

    // format
    std::string format();

  private:
    bool setup;  // true after list is filled from file
    // columns contains a mapping of the "logical" column name to the
    //   actual column number (from 1) and the actual label in the file
    std::map<std::string, ColumnNumberLabel> columns; 
    // iterator for start & next functions
    std::map<std::string, ColumnNumberLabel>::iterator pcl;
    bool at_start;
    }; // column_labels
  //===================================================================
  class column_select
  // Column selections for Scala
  {
  public:
    column_select(){}
    column_select(const MtzIO::column_labels& column_list,
                  col_controls& column_selection);

    // Set boolean data flags corresponding to columns present in file
    data_flags DataFlags() const;
   
    int col_h, col_k, col_l, col_misym, col_batch,
      col_I, col_sigI, col_Ipr, col_sigIpr, col_fractioncalc,
      col_Xdet, col_Ydet, col_Rot, col_Width, col_LP, col_Mpart,
      col_ObsFlag, col_BgPkRatio, col_scale, col_sigscale, col_time;
  };  // column_select
  //======================================================================
  //-----------------------------------------------------------------------------
  // This is for merged files
  // A ColLab element is formatted as "/crystal/dataset/label type"
  //    (clipper format)
  //
  // On entry:
  //  ColLab  clipper column labels from MTZ file
  //  ColumnLabels column labels for "FI" and "SIGFI" if set on input
  //  
  // Returns:
  //  ClipperLabelPair   Clipper path & labels for pair of items eg F, SIGF
  //  IorF true if column is F, false if J (intensity)
  //  
  ClipperLabelPair ProcessLabels(const std::vector<clipper::String>& ColLab,
                const column_labels& ColumnLabels,
                bool& IorF);


} // namespace MtzIO
#endif

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