RDKit: SetQuery.h Source File

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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 =
41 this->TypeConvert(what, Int2Type<needsConversion>());
42 return (this->d_set.find(mfArg) != this->d_set.end()) ^ this->getNegation();
43 };
44
45 Query<MatchFuncArgType, DataFuncArgType, needsConversion> *copy() const {
46 SetQuery<MatchFuncArgType, DataFuncArgType, needsConversion> *res =
47 new SetQuery<MatchFuncArgType, DataFuncArgType, needsConversion>();
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
Queries::Query::getNegation
bool getNegation() const
returns whether or not we are negated
Definition: Query.h:63
Queries
Definition: AndQuery.h:15
Queries::SetQuery::clear
void clear()
clears our set
Definition: SetQuery.h:37
Queries::SetQuery::getFullDescription
std::string getFullDescription() const
returns a fuller text description
Definition: SetQuery.h:66
Queries::Query::getDescription
const std::string & getDescription() const
returns our text description
Definition: Query.h:74
Queries::Query::setNegation
void setNegation(bool what)
sets whether or not we are negated
Definition: Query.h:61
Queries::Query::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:150
Queries::SetQuery::d_set
CONTAINER_TYPE d_set
Definition: SetQuery.h:80
Queries::SetQuery::copy
Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const
returns a copy of this Query
Definition: SetQuery.h:45
Query.h
Queries::SetQuery::Match
bool Match(const DataFuncArgType what) const
returns whether or not we match the argument
Definition: SetQuery.h:39
Queries::SetQuery::beginSet
CONTAINER_TYPE::const_iterator beginSet() const
Definition: SetQuery.h:58
Queries::Int2Type
class to allow integer values to pick templates
Definition: Query.h:26
Queries::Query::d_dataFunc
MatchFuncArgType(* d_dataFunc)(DataFuncArgType)
Definition: Query.h:146
Queries::SetQuery::insert
void insert(const MatchFuncArgType what)
insert an entry into our set
Definition: SetQuery.h:32
Queries::Query::setDataFunc
void setDataFunc(MatchFuncArgType(*what)(DataFuncArgType))
sets our data function
Definition: Query.h:90
Queries::SetQuery::endSet
CONTAINER_TYPE::const_iterator endSet() const
Definition: SetQuery.h:61
Queries::SetQuery::CONTAINER_TYPE
std::set< MatchFuncArgType > CONTAINER_TYPE
Definition: SetQuery.h:27
Queries::Query::d_description
std::string d_description
Definition: Query.h:139
Queries::SetQuery::SetQuery
SetQuery()
Definition: SetQuery.h:29
Queries::SetQuery::size
unsigned int size() const
Definition: SetQuery.h:64
Queries::Query
Base class for all queries.
Definition: Query.h:45
Queries::SetQuery
a Query implementing a set: arguments must one of a set of values
Definition: SetQuery.h:24