RDKit
Open-source cheminformatics and machine learning.
SetQuery.h
Go to the documentation of this file.
1 //
2 // Copyright (c) 2003-2008 Greg Landrum and Rational Discovery LLC
3 //
4 // @@ All Rights Reserved @@
5 // This file is part of the RDKit.
6 // The contents are covered by the terms of the BSD license
7 // which is included in the file license.txt, found at the root
8 // of the RDKit source tree.
9 //
10 #include <RDGeneral/export.h>
11 #ifndef __RD_SETQUERY_H__
12 #define __RD_SETQUERY_H__
13 #include <set>
14 #include "Query.h"
15 #include <sstream>
16 #include <algorithm>
17 #include <iterator>
18 
19 namespace Queries {
20 //! \brief a Query implementing a set: arguments must
21 //! one of a set of values
22 //!
23 template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
24  bool needsConversion = false>
25 class SetQuery
26  : public Query<MatchFuncArgType, DataFuncArgType, needsConversion> {
27  public:
28  typedef std::set<MatchFuncArgType> CONTAINER_TYPE;
29 
30  SetQuery() : Query<MatchFuncArgType, DataFuncArgType, needsConversion>(){};
31 
32  //! insert an entry into our \c set
33  void insert(const MatchFuncArgType what) {
34  if (d_set.find(what) == this->d_set.end()) this->d_set.insert(what);
35  }
36 
37  //! clears our \c set
38  void clear() { this->d_set.clear(); }
39 
40  bool Match(const DataFuncArgType what) const {
41  MatchFuncArgType mfArg =
43  return (this->d_set.find(mfArg) != this->d_set.end()) ^ this->getNegation();
44  };
45 
49  res->setDataFunc(this->d_dataFunc);
50  typename std::set<MatchFuncArgType>::const_iterator i;
51  for (i = this->d_set.begin(); i != this->d_set.end(); ++i) {
52  res->insert(*i);
53  }
54  res->setNegation(this->getNegation());
55  res->d_description = this->d_description;
56  return res;
57  };
58 
59  typename CONTAINER_TYPE::const_iterator beginSet() const {
60  return d_set.begin();
61  };
62  typename CONTAINER_TYPE::const_iterator endSet() const {
63  return d_set.end();
64  };
65  unsigned int size() const { return rdcast<unsigned int>(d_set.size()); };
66 
67  std::string getFullDescription() const {
68  std::ostringstream res;
69  res << this->getDescription() << " val";
70  if (this->getNegation())
71  res << " not in ";
72  else
73  res << " in (";
74  std::copy(d_set.begin(), d_set.end(),
75  std::ostream_iterator<MatchFuncArgType>(res, ", "));
76  res << ")";
77  return res.str();
78  }
79 
80  protected:
82 };
83 } // namespace Queries
84 #endif
Queries::SetQuery::endSet
CONTAINER_TYPE::const_iterator endSet() const
Definition: SetQuery.h:62
Queries::Query< MatchFuncArgType, MatchFuncArgType, false >::setNegation
void setNegation(bool what)
sets whether or not we are negated
Definition: Query.h:63
Queries::SetQuery::CONTAINER_TYPE
std::set< MatchFuncArgType > CONTAINER_TYPE
Definition: SetQuery.h:28
Queries::Query< MatchFuncArgType, MatchFuncArgType, false >::d_dataFunc
MatchFuncArgType(* d_dataFunc)(MatchFuncArgType)
Definition: Query.h:158
Query.h
Queries::SetQuery::insert
void insert(const MatchFuncArgType what)
insert an entry into our set
Definition: SetQuery.h:33
Queries::SetQuery::d_set
CONTAINER_TYPE d_set
Definition: SetQuery.h:81
Queries
Definition: AndQuery.h:16
Queries::SetQuery::copy
Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const
Definition: SetQuery.h:46
Queries::SetQuery::clear
void clear()
clears our set
Definition: SetQuery.h:38
Queries::Query< MatchFuncArgType, MatchFuncArgType, false >::d_description
std::string d_description
Definition: Query.h:147
Queries::SetQuery::beginSet
CONTAINER_TYPE::const_iterator beginSet() const
Definition: SetQuery.h:59
Queries::Query< MatchFuncArgType, MatchFuncArgType, false >::setDataFunc
void setDataFunc(MatchFuncArgType(*what)(MatchFuncArgType))
sets our data function
Definition: Query.h:92
Queries::Query< MatchFuncArgType, MatchFuncArgType, false >::getNegation
bool getNegation() const
returns whether or not we are negated
Definition: Query.h:65
Queries::Int2Type
class to allow integer values to pick templates
Definition: Query.h:27
Queries::SetQuery::Match
bool Match(const DataFuncArgType what) const
Definition: SetQuery.h:40
Queries::Query< MatchFuncArgType, MatchFuncArgType, false >::TypeConvert
MatchFuncArgType TypeConvert(MatchFuncArgType what, Int2Type< false >) const
calls our dataFunc (if it's set) on what and returns the result, otherwise returns what
Definition: Query.h:163
Queries::SetQuery::getFullDescription
std::string getFullDescription() const
Definition: SetQuery.h:67
Queries::SetQuery
a Query implementing a set: arguments must one of a set of values
Definition: SetQuery.h:25
Queries::Query
Base class for all queries.
Definition: Query.h:46
Queries::Query< MatchFuncArgType, MatchFuncArgType, false >::getDescription
const std::string & getDescription() const
returns our text description
Definition: Query.h:76
Queries::SetQuery::size
unsigned int size() const
Definition: SetQuery.h:65
Queries::SetQuery::SetQuery
SetQuery()
Definition: SetQuery.h:30
export.h