RDKit
Open-source cheminformatics and machine learning.
SetQuery.h
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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 #ifndef __RD_SETQUERY_H__
11 #define __RD_SETQUERY_H__
12 #include <set>
13 #include "Query.h"
14 #include <sstream>
15 #include <algorithm>
16 #include <iterator>
17 
18 namespace Queries {
19 //! \brief a Query implementing a set: arguments must
20 //! one of a set of values
21 //!
22 template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
23  bool needsConversion = false>
24 class SetQuery
25  : public Query<MatchFuncArgType, DataFuncArgType, needsConversion> {
26  public:
27  typedef std::set<MatchFuncArgType> CONTAINER_TYPE;
28 
29  SetQuery() : Query<MatchFuncArgType, DataFuncArgType, needsConversion>(){};
30 
31  //! insert an entry into our \c set
32  void insert(const MatchFuncArgType what) {
33  if (d_set.find(what) == this->d_set.end()) this->d_set.insert(what);
34  }
35 
36  //! clears our \c set
37  void clear() { this->d_set.clear(); }
38 
39  bool Match(const DataFuncArgType what) const {
40  MatchFuncArgType mfArg =
42  return (this->d_set.find(mfArg) != this->d_set.end()) ^ this->getNegation();
43  };
44 
48  res->setDataFunc(this->d_dataFunc);
49  typename std::set<MatchFuncArgType>::const_iterator i;
50  for (i = this->d_set.begin(); i != this->d_set.end(); ++i) {
51  res->insert(*i);
52  }
53  res->setNegation(this->getNegation());
54  res->d_description = this->d_description;
55  return res;
56  };
57 
58  typename CONTAINER_TYPE::const_iterator beginSet() const {
59  return d_set.begin();
60  };
61  typename CONTAINER_TYPE::const_iterator endSet() const {
62  return d_set.end();
63  };
64  unsigned int size() const { return rdcast<unsigned int>(d_set.size()); };
65 
66  std::string getFullDescription() const {
67  std::ostringstream res;
68  res << this->getDescription() << " val";
69  if (this->getNegation())
70  res << " not in ";
71  else
72  res << " in (";
73  std::copy(d_set.begin(), d_set.end(),
74  std::ostream_iterator<MatchFuncArgType>(res, ", "));
75  res << ")";
76  return res.str();
77  }
78 
79  protected:
80  CONTAINER_TYPE d_set;
81 };
82 }
83 #endif
bool getNegation() const
returns whether or not we are negated
Definition: Query.h:63
void clear()
clears our set
Definition: SetQuery.h:37
std::string getFullDescription() const
returns a fuller text description
Definition: SetQuery.h:66
const std::string & getDescription() const
returns our text description
Definition: Query.h:74
void setNegation(bool what)
sets whether or not we are negated
Definition: Query.h:61
MatchFuncArgType TypeConvert(MatchFuncArgType what, Int2Type< false >) const
calls our dataFunc (if it&#39;s set) on what and returns the result, otherwise returns what ...
Definition: Query.h:150
CONTAINER_TYPE d_set
Definition: SetQuery.h:80
Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const
returns a copy of this Query
Definition: SetQuery.h:45
bool Match(const DataFuncArgType what) const
returns whether or not we match the argument
Definition: SetQuery.h:39
CONTAINER_TYPE::const_iterator beginSet() const
Definition: SetQuery.h:58
class to allow integer values to pick templates
Definition: Query.h:26
MatchFuncArgType(* d_dataFunc)(DataFuncArgType)
Definition: Query.h:146
void insert(const MatchFuncArgType what)
insert an entry into our set
Definition: SetQuery.h:32
void setDataFunc(MatchFuncArgType(*what)(DataFuncArgType))
sets our data function
Definition: Query.h:90
CONTAINER_TYPE::const_iterator endSet() const
Definition: SetQuery.h:61
std::set< MatchFuncArgType > CONTAINER_TYPE
Definition: SetQuery.h:27
std::string d_description
Definition: Query.h:139
unsigned int size() const
Definition: SetQuery.h:64
Base class for all queries.
Definition: Query.h:45
a Query implementing a set: arguments must one of a set of values
Definition: SetQuery.h:24