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RangeQuery.h
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//
// Copyright (c) 2003-2020 Greg Landrum and Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include <RDGeneral/export.h>
#ifndef RD_RANGEQUERY_H
#define RD_RANGEQUERY_H
#include "Query.h"
#include <utility>
namespace Queries {
//! \brief a Query implementing a range: arguments must
//! fall in a particular range of values.
//!
//! The ends of the range default to be open, but they can
//! individually set to be closed.
//!
//! There is also an optional tolerance to be used in comparisons
template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
bool needsConversion = false>
class RDKIT_QUERY_EXPORT RangeQuery
: public Query<MatchFuncArgType, DataFuncArgType, needsConversion> {
public:
RangeQuery() : d_upper(0), d_lower(0) { this->df_negate = false; }
//! construct and set the lower and upper bounds
RangeQuery(MatchFuncArgType lower, MatchFuncArgType upper)
: d_upper(upper), d_lower(lower), df_upperOpen(true), df_lowerOpen(true) {
this->df_negate = false;
}
//! sets our upper bound
void setUpper(MatchFuncArgType what) { this->d_upper = what; }
//! returns our upper bound
const MatchFuncArgType getUpper() const { return this->d_upper; }
//! sets our lower bound
void setLower(MatchFuncArgType what) { this->d_lower = what; }
//! returns our lower bound
const MatchFuncArgType getLower() const { return this->d_lower; }
//! sets whether or not the ends of the range are open
void setEndsOpen(bool lower, bool upper) {
this->df_lowerOpen = lower;
this->df_upperOpen = upper;
}
//! returns the state of our ends (open or not)
std::pair<bool, bool> getEndsOpen() const {
return std::make_pair(this->df_lowerOpen, this->df_upperOpen);
}
//! sets our tolerance
void setTol(MatchFuncArgType what) { this->d_tol = what; }
//! returns our tolerance
const MatchFuncArgType getTol() const { return this->d_tol; }
bool Match(const DataFuncArgType what) const override {
MatchFuncArgType mfArg =
this->TypeConvert(what, Int2Type<needsConversion>());
int lCmp = queryCmp(this->d_lower, mfArg, this->d_tol);
int uCmp = queryCmp(this->d_upper, mfArg, this->d_tol);
bool lowerRes, upperRes;
if (this->df_lowerOpen) {
lowerRes = lCmp < 0;
} else {
lowerRes = lCmp <= 0;
}
if (this->df_upperOpen) {
upperRes = uCmp > 0;
} else {
upperRes = uCmp >= 0;
}
bool tempR = !(lowerRes && upperRes);
if (this->getNegation()) {
return tempR;
} else {
return !tempR;
}
}
Query<MatchFuncArgType, DataFuncArgType, needsConversion> *copy()
const override {
RangeQuery<MatchFuncArgType, DataFuncArgType, needsConversion> *res =
new RangeQuery<MatchFuncArgType, DataFuncArgType, needsConversion>();
res->setUpper(this->d_upper);
res->setLower(this->d_lower);
res->setTol(this->d_tol);
res->setNegation(this->getNegation());
res->setEndsOpen(this->df_lowerOpen, this->df_upperOpen);
res->setDataFunc(this->d_dataFunc);
res->d_description = this->d_description;
res->d_queryType = this->d_queryType;
return res;
}
std::string getFullDescription() const override {
std::ostringstream res;
res << this->getDescription();
if (this->getNegation()) {
res << " ! ";
}
res << " " << this->d_lower << " val " << this->d_upper;
return res.str();
}
protected:
MatchFuncArgType d_upper, d_lower;
bool df_upperOpen{true}, df_lowerOpen{true};
};
} // namespace Queries
#endif
Query.h
Queries::Int2Type
class to allow integer values to pick templates
Definition Query.h:27
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:174
Queries::Query::d_dataFunc
std::function< MatchFuncArgType(DataFuncArgType)> d_dataFunc
Definition Query.h:169
Queries::Query::d_queryType
std::string d_queryType
Definition Query.h:158
Queries::Query::setDataFunc
void setDataFunc(std::function< MatchFuncArgType(DataFuncArgType)> what)
sets our data function
Definition Query.h:99
Queries::Query::getNegation
bool getNegation() const
returns whether or not we are negated
Definition Query.h:64
Queries::Query::setNegation
void setNegation(bool what)
sets whether or not we are negated
Definition Query.h:62
Queries::Query::getDescription
const std::string & getDescription() const
returns our text description
Definition Query.h:73
Queries::Query< MatchFuncArgType, MatchFuncArgType, false >::Query
Query()
Definition Query.h:58
Queries::Query::df_negate
bool df_negate
Definition Query.h:160
Queries::Query::d_tol
MatchFuncArgType d_tol
Definition Query.h:156
Queries::Query::d_description
std::string d_description
Definition Query.h:157
Queries::RangeQuery::getFullDescription
std::string getFullDescription() const override
returns a fuller text description
Definition RangeQuery.h:101
Queries::RangeQuery::RangeQuery
RangeQuery(MatchFuncArgType lower, MatchFuncArgType upper)
construct and set the lower and upper bounds
Definition RangeQuery.h:32
Queries::RangeQuery::setTol
void setTol(MatchFuncArgType what)
sets our tolerance
Definition RangeQuery.h:57
Queries::RangeQuery< double, const ROMol &, true >::d_upper
double d_upper
Definition RangeQuery.h:112
Queries::RangeQuery< double, const ROMol &, true >::df_lowerOpen
bool df_lowerOpen
Definition RangeQuery.h:113
Queries::RangeQuery::setUpper
void setUpper(MatchFuncArgType what)
sets our upper bound
Definition RangeQuery.h:38
Queries::RangeQuery< double, const ROMol &, true >::df_upperOpen
bool df_upperOpen
Definition RangeQuery.h:113
Queries::RangeQuery::Match
bool Match(const DataFuncArgType what) const override
Definition RangeQuery.h:61
Queries::RangeQuery::getLower
const MatchFuncArgType getLower() const
returns our lower bound
Definition RangeQuery.h:44
Queries::RangeQuery< double, const ROMol &, true >::d_lower
double d_lower
Definition RangeQuery.h:112
Queries::RangeQuery::RangeQuery
RangeQuery()
Definition RangeQuery.h:30
Queries::RangeQuery::getUpper
const MatchFuncArgType getUpper() const
returns our upper bound
Definition RangeQuery.h:40
Queries::RangeQuery::getEndsOpen
std::pair< bool, bool > getEndsOpen() const
returns the state of our ends (open or not)
Definition RangeQuery.h:52
Queries::RangeQuery::getTol
const MatchFuncArgType getTol() const
returns our tolerance
Definition RangeQuery.h:59
Queries::RangeQuery::setEndsOpen
void setEndsOpen(bool lower, bool upper)
sets whether or not the ends of the range are open
Definition RangeQuery.h:47
Queries::RangeQuery::setLower
void setLower(MatchFuncArgType what)
sets our lower bound
Definition RangeQuery.h:42
Queries::RangeQuery::copy
Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const override
returns a copy of this Query
Definition RangeQuery.h:86
export.h
RDKIT_QUERY_EXPORT
#define RDKIT_QUERY_EXPORT
Definition export.h:669
Queries
Definition AndQuery.h:16
Queries::queryCmp
int queryCmp(const T1 v1, const T2 v2, const T1 tol)
Definition Query.h:202