RDKit
Open-source cheminformatics and machine learning.
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EqualityQuery.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_EQUALITYQUERY_H
12#define RD_EQUALITYQUERY_H
13#include "Query.h"
14#include <sstream>
15
16namespace Queries {
17
18//! \brief a Query implementing ==: arguments must match a particular
19//! value (within an optional tolerance)
20template <typename MatchFuncArgType,
21 typename DataFuncArgType = MatchFuncArgType,
22 bool needsConversion = false>
24 : public Query<MatchFuncArgType, DataFuncArgType, needsConversion> {
25 public:
26 EqualityQuery() { this->df_negate = false; }
27
28 //! constructs with our target value
29 explicit EqualityQuery(MatchFuncArgType v) {
30 this->d_val = v;
31 this->df_negate = false;
32 }
33
34 //! constructs with our target value and a tolerance
35 EqualityQuery(MatchFuncArgType v, MatchFuncArgType t) {
36 this->d_val = v;
37 this->d_tol = t;
38 this->df_negate = false;
39 }
40
41 //! sets our target value
42 void setVal(MatchFuncArgType what) { this->d_val = what; }
43 //! returns our target value
44 const MatchFuncArgType getVal() const { return this->d_val; }
45
46 //! sets our tolerance
47 void setTol(MatchFuncArgType what) { this->d_tol = what; }
48 //! returns out tolerance
49 const MatchFuncArgType getTol() const { return this->d_tol; }
50
51 bool Match(const DataFuncArgType what) const override {
52 MatchFuncArgType mfArg =
53 this->TypeConvert(what, Int2Type<needsConversion>());
54 if (queryCmp(this->d_val, mfArg, this->d_tol) == 0) {
55 return !this->getNegation();
56 } else {
57 return this->getNegation();
58 }
59 }
60
62 const override {
65 res->setNegation(this->getNegation());
66 res->setVal(this->d_val);
67 res->setTol(this->d_tol);
68 res->setDataFunc(this->d_dataFunc);
69 res->d_description = this->d_description;
70 res->d_queryType = this->d_queryType;
71 return res;
72 }
73
74 std::string getFullDescription() const override {
75 std::ostringstream res;
76 res << this->getDescription();
77 res << " " << this->d_val;
78 if (this->getNegation()) {
79 res << " != ";
80 } else {
81 res << " = ";
82 }
83 res << "val";
84 return res.str();
85 }
86};
87} // namespace Queries
88#endif
a Query implementing ==: arguments must match a particular value (within an optional tolerance)
const MatchFuncArgType getVal() const
returns our target value
Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const override
returns a copy of this Query
EqualityQuery(MatchFuncArgType v)
constructs with our target value
bool Match(const DataFuncArgType what) const override
returns whether or not we match the argument
EqualityQuery(MatchFuncArgType v, MatchFuncArgType t)
constructs with our target value and a tolerance
void setTol(MatchFuncArgType what)
sets our tolerance
void setVal(MatchFuncArgType what)
sets our target value
const MatchFuncArgType getTol() const
returns out tolerance
std::string getFullDescription() const override
returns a fuller text description
class to allow integer values to pick templates
Definition Query.h:26
Base class for all queries.
Definition Query.h:45
std::string d_queryType
Definition Query.h:153
void setDataFunc(MatchFuncArgType(*what)(DataFuncArgType))
sets our data function
Definition Query.h:94
void setNegation(bool what)
sets whether or not we are negated
Definition Query.h:59
std::string d_description
Definition Query.h:152
#define RDKIT_QUERY_EXPORT
Definition export.h:589
int queryCmp(const T1 v1, const T2 v2, const T1 tol)
Definition Query.h:197