RDKit
Open-source cheminformatics and machine learning.
SetQuery.h
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1 //
2 // Copyright (c) 2003-2020 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  res->d_queryType = this->d_queryType;
57  return res;
58  };
59 
60  typename CONTAINER_TYPE::const_iterator beginSet() const {
61  return d_set.begin();
62  };
63  typename CONTAINER_TYPE::const_iterator endSet() const {
64  return d_set.end();
65  };
66  unsigned int size() const { return rdcast<unsigned int>(d_set.size()); };
67 
68  std::string getFullDescription() const {
69  std::ostringstream res;
70  res << this->getDescription() << " val";
71  if (this->getNegation())
72  res << " not in ";
73  else
74  res << " in (";
75  std::copy(d_set.begin(), d_set.end(),
76  std::ostream_iterator<MatchFuncArgType>(res, ", "));
77  res << ")";
78  return res.str();
79  }
80 
81  protected:
83 };
84 } // namespace Queries
85 #endif
class to allow integer values to pick templates
Definition: Query.h:26
Base class for all queries.
Definition: Query.h:45
MatchFuncArgType(* d_dataFunc)(MatchFuncArgType)
Definition: Query.h:162
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:167
std::string d_queryType
Definition: Query.h:151
const std::string & getDescription() const
returns our text description
Definition: Query.h:71
void setDataFunc(MatchFuncArgType(*what)(DataFuncArgType))
sets our data function
Definition: Query.h:94
bool getNegation() const
returns whether or not we are negated
Definition: Query.h:60
void setNegation(bool what)
sets whether or not we are negated
Definition: Query.h:58
std::string d_description
Definition: Query.h:150
a Query implementing a set: arguments must one of a set of values
Definition: SetQuery.h:26
bool Match(const DataFuncArgType what) const
Definition: SetQuery.h:40
CONTAINER_TYPE::const_iterator beginSet() const
Definition: SetQuery.h:60
void clear()
clears our set
Definition: SetQuery.h:38
Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const
returns a copy of this Query
Definition: SetQuery.h:46
std::set< MatchFuncArgType > CONTAINER_TYPE
Definition: SetQuery.h:28
std::string getFullDescription() const
returns a fuller text description
Definition: SetQuery.h:68
void insert(const MatchFuncArgType what)
insert an entry into our set
Definition: SetQuery.h:33
unsigned int size() const
Definition: SetQuery.h:66
CONTAINER_TYPE d_set
Definition: SetQuery.h:82
CONTAINER_TYPE::const_iterator endSet() const
Definition: SetQuery.h:63