RDKit
Open-source cheminformatics and machine learning.
LessQuery.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_LESSQUERY_H
12 #define RD_LESSQUERY_H
13 #include "Query.h"
14 #include "EqualityQuery.h"
15 
16 namespace Queries {
17 //! \brief a Query implementing < using a particular
18 //! value (and an optional tolerance)
19 template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
20  bool needsConversion = false>
22  : public EqualityQuery<MatchFuncArgType, DataFuncArgType, needsConversion> {
23  public:
24  LessQuery() { this->d_tol = 0; }
25  //! constructs with our target value
26  explicit LessQuery(DataFuncArgType v) {
27  this->d_val = v;
28  this->d_tol = 0;
29  this->df_negate = false;
30  }
31  //! constructs with our target value and a tolerance
32  LessQuery(DataFuncArgType v, DataFuncArgType t) {
33  this->d_val = v;
34  this->d_tol = t;
35  this->df_negate = false;
36  }
37 
38  bool Match(const DataFuncArgType what) const override {
39  MatchFuncArgType mfArg =
40  this->TypeConvert(what, Int2Type<needsConversion>());
41  if (queryCmp(this->d_val, mfArg, this->d_tol) < 0) {
42  if (this->getNegation())
43  return false;
44  else
45  return true;
46  } else {
47  if (this->getNegation())
48  return true;
49  else
50  return false;
51  }
52  }
53 
55  const override {
58  res->setNegation(this->getNegation());
59  res->setVal(this->d_val);
60  res->setTol(this->d_tol);
61  res->setDataFunc(this->d_dataFunc);
62  res->d_description = this->d_description;
63  res->d_queryType = this->d_queryType;
64  return res;
65  }
66 
67  std::string getFullDescription() const override {
68  std::ostringstream res;
69  res << this->getDescription();
70  res << " " << this->d_val;
71  if (this->getNegation())
72  res << " ! < ";
73  else
74  res << " < ";
75  return res.str();
76  }
77 };
78 } // namespace Queries
79 #endif
a Query implementing ==: arguments must match a particular value (within an optional tolerance)
Definition: EqualityQuery.h:24
void setTol(MatchFuncArgType what)
sets our tolerance
Definition: EqualityQuery.h:47
void setVal(MatchFuncArgType what)
sets our target value
Definition: EqualityQuery.h:42
class to allow integer values to pick templates
Definition: Query.h:26
a Query implementing < using a particular value (and an optional tolerance)
Definition: LessQuery.h:22
bool Match(const DataFuncArgType what) const override
returns whether or not we match the argument
Definition: LessQuery.h:38
std::string getFullDescription() const override
returns a fuller text description
Definition: LessQuery.h:67
LessQuery(DataFuncArgType v, DataFuncArgType t)
constructs with our target value and a tolerance
Definition: LessQuery.h:32
LessQuery(DataFuncArgType v)
constructs with our target value
Definition: LessQuery.h:26
Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const override
returns a copy of this Query
Definition: LessQuery.h:54
Base class for all queries.
Definition: Query.h:45
std::string d_queryType
Definition: Query.h:150
void setDataFunc(MatchFuncArgType(*what)(DataFuncArgType))
sets our data function
Definition: Query.h:93
void setNegation(bool what)
sets whether or not we are negated
Definition: Query.h:59
std::string d_description
Definition: Query.h:149
#define RDKIT_QUERY_EXPORT
Definition: export.h:549
int queryCmp(const T1 v1, const T2 v2, const T1 tol)
Definition: Query.h:194