rdkit/Code/Query/RangeQuery.h

//
// Copyright (c) 2003-2006 Greg Landrum and Rational Discovery LLC
//
//   @@ All Rights Reserved @@
//  This file is part of the RDKit.
//  The contents are covered by the terms of the BSD license
//  which is included in the file license.txt, found at the root
//  of the RDKit source tree.
//
#include <RDBoost/export.h>
#ifndef __RD_RANGEQUERY_H__
#define __RD_RANGEQUERY_H__
#include "Query.h"
#include <utility>

namespace Queries {

//! \brief a Query implementing a range: arguments must
//!  fall in a particular range of values.
//!
//!  The ends of the range default to be open, but they can
//!  individually set to be closed.
//!
//!  There is also an optional tolerance to be used in comparisons
template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
          bool needsConversion = false>
class RangeQuery
    : public Query<MatchFuncArgType, DataFuncArgType, needsConversion> {
 public:
  RangeQuery()
      : d_upper(0),
        d_lower(0),
        d_tol(0),
        df_upperOpen(true),
        df_lowerOpen(true) {
    this->df_negate = false;
  };
  //! construct and set the lower and upper bounds
  RangeQuery(MatchFuncArgType lower, MatchFuncArgType upper)
      : d_upper(upper),
        d_lower(lower),
        d_tol(0),
        df_upperOpen(true),
        df_lowerOpen(true) {
    this->df_negate = false;
  };

  //! sets our upper bound
  void setUpper(MatchFuncArgType what) { this->d_upper = what; };
  //! returns our upper bound
  const MatchFuncArgType getUpper() const { return this->d_upper; };
  //! sets our lower bound
  void setLower(MatchFuncArgType what) { this->d_lower = what; };
  //! returns our lower bound
  const MatchFuncArgType getLower() const { return this->d_lower; };

  //! sets whether or not the ends of the range are open
  void setEndsOpen(bool lower, bool upper) {
    this->df_lowerOpen = lower;
    this->df_upperOpen = upper;
  };
  //! returns the state of our ends (open or not)
  std::pair<bool, bool> getEndsOpen() const {
    return std::make_pair(this->df_lowerOpen, this->df_upperOpen);
  };

  //! sets our tolerance
  void setTol(MatchFuncArgType what) { this->d_tol = what; };
  //! returns our tolerance
  const MatchFuncArgType getTol() const { return this->d_tol; };

  bool Match(const DataFuncArgType what) const {
    MatchFuncArgType mfArg =
        this->TypeConvert(what, Int2Type<needsConversion>());
    int lCmp = queryCmp(this->d_lower, mfArg, this->d_tol);
    int uCmp = queryCmp(this->d_upper, mfArg, this->d_tol);
    bool lowerRes, upperRes;
    if (this->df_lowerOpen)
      lowerRes = lCmp < 0;
    else
      lowerRes = lCmp <= 0;
    if (this->df_upperOpen)
      upperRes = uCmp > 0;
    else
      upperRes = uCmp >= 0;

    bool tempR = !(lowerRes && upperRes);
    if (this->getNegation())
      return tempR;
    else
      return !tempR;
  };

  Query<MatchFuncArgType, DataFuncArgType, needsConversion> *copy() const {
    RangeQuery<MatchFuncArgType, DataFuncArgType, needsConversion> *res =
        new RangeQuery<MatchFuncArgType, DataFuncArgType, needsConversion>();
    res->setUpper(this->d_upper);
    res->setLower(this->d_lower);
    res->setTol(this->d_tol);
    res->setNegation(this->getNegation());
    res->setEndsOpen(this->df_lowerOpen, this->df_upperOpen);
    res->setDataFunc(this->d_dataFunc);
    res->d_description = this->d_description;
    return res;
  };

  std::string getFullDescription() const {
    std::ostringstream res;
    res << this->getDescription();
    if (this->getNegation()) res << " ! ";
    res << " " << this->d_lower << " val " << this->d_upper;
    return res.str();
  };

 protected:
  MatchFuncArgType d_upper, d_lower;
  MatchFuncArgType d_tol;
  bool df_upperOpen, df_lowerOpen;
};
}
#endif