SetQuery.h

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//
// Copyright (c) 2003-2020 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 <RDGeneral/export.h>
#ifndef RD_SETQUERY_H
#define RD_SETQUERY_H
#include <set>
#include "Query.h"
#include <sstream>
#include <algorithm>
#include <iterator>
 
namespace Queries {
//! \brief a Query implementing a set: arguments must
//!  one of a set of values
//!
template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
          bool needsConversion = false>
class RDKIT_QUERY_EXPORT SetQuery
    : public Query<MatchFuncArgType, DataFuncArgType, needsConversion> {
 public:
  typedef std::set<MatchFuncArgType> CONTAINER_TYPE;
 
  SetQuery() : Query<MatchFuncArgType, DataFuncArgType, needsConversion>() {}
 
  //! insert an entry into our \c set
  void insert(const MatchFuncArgType what) {
    if (d_set.find(what) == this->d_set.end()) {
      this->d_set.insert(what);
    }
  }
 
  //! clears our \c set
  void clear() { this->d_set.clear(); }
 
  bool Match(const DataFuncArgType what) const override {
    MatchFuncArgType mfArg =
        this->TypeConvert(what, Int2Type<needsConversion>());
    return (this->d_set.find(mfArg) != this->d_set.end()) ^ this->getNegation();
  }
 
  Query<MatchFuncArgType, DataFuncArgType, needsConversion> *copy()
      const override {
    SetQuery<MatchFuncArgType, DataFuncArgType, needsConversion> *res =
        new SetQuery<MatchFuncArgType, DataFuncArgType, needsConversion>();
    res->setDataFunc(this->d_dataFunc);
    typename std::set<MatchFuncArgType>::const_iterator i;
    for (i = this->d_set.begin(); i != this->d_set.end(); ++i) {
      res->insert(*i);
    }
    res->setNegation(this->getNegation());
    res->d_description = this->d_description;
    res->d_queryType = this->d_queryType;
    return res;
  }
 
  typename CONTAINER_TYPE::const_iterator beginSet() const {
    return d_set.begin();
  }
  typename CONTAINER_TYPE::const_iterator endSet() const { return d_set.end(); }
  unsigned int size() const { return rdcast<unsigned int>(d_set.size()); }
 
  std::string getFullDescription() const override {
    std::ostringstream res;
    res << this->getDescription() << " val";
    if (this->getNegation()) {
      res << " not in ";
    } else {
      res << " in (";
    }
    std::copy(d_set.begin(), d_set.end(),
              std::ostream_iterator<MatchFuncArgType>(res, ", "));
    res << ")";
    return res.str();
  }
 
 protected:
  CONTAINER_TYPE d_set;
};
}  // namespace Queries
#endif