RDKit
Open-source cheminformatics and machine learning.
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LessEqualQuery.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_LESSEQUALQUERY_H
12#define RD_LESSEQUALQUERY_H
13#include "Query.h"
14#include "EqualityQuery.h"
15
16namespace Queries {
17//! \brief a Query implementing <= using a particular
18//! value (and an optional tolerance)
19template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
20 bool needsConversion = false>
22 : public EqualityQuery<MatchFuncArgType, DataFuncArgType, needsConversion> {
23 public:
24 LessEqualQuery() { this->d_tol = 0; }
25 //! constructs with our target value
26 explicit LessEqualQuery(DataFuncArgType what) {
27 this->d_val = what;
28 this->d_tol = 0;
29 this->df_negate = false;
30 }
31 //! constructs with our target value and a tolerance
32 LessEqualQuery(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 return !this->getNegation();
43 } else {
44 return this->getNegation();
45 }
46 }
47
49 const override {
51 new LessEqualQuery<MatchFuncArgType, DataFuncArgType,
52 needsConversion>();
53 res->setNegation(this->getNegation());
54 res->setVal(this->d_val);
55 res->setTol(this->d_tol);
56 res->setDataFunc(this->d_dataFunc);
57 res->d_description = this->d_description;
58 res->d_queryType = this->d_queryType;
59 return res;
60 }
61
62 std::string getFullDescription() const override {
63 std::ostringstream res;
64 res << this->getDescription();
65 res << " " << this->d_val;
66 if (this->getNegation()) {
67 res << " ! <= ";
68 } else {
69 res << " <= ";
70 }
71 return res.str();
72 }
73};
74} // namespace Queries
75#endif
a Query implementing ==: arguments must match a particular value (within an optional tolerance)
void setTol(MatchFuncArgType what)
sets our tolerance
void setVal(MatchFuncArgType what)
sets our target value
class to allow integer values to pick templates
Definition Query.h:26
a Query implementing <= using a particular value (and an optional tolerance)
std::string getFullDescription() const override
returns a fuller text description
bool Match(const DataFuncArgType what) const override
returns whether or not we match the argument
Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const override
returns a copy of this Query
LessEqualQuery(DataFuncArgType what)
constructs with our target value
LessEqualQuery(DataFuncArgType v, DataFuncArgType t)
constructs with our target value and a tolerance
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:613
int queryCmp(const T1 v1, const T2 v2, const T1 tol)
Definition Query.h:197