1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88
|
//
// 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_EQUALITYQUERY_H
#define RD_EQUALITYQUERY_H
#include "Query.h"
#include <sstream>
namespace Queries {
//! \brief a Query implementing ==: arguments must match a particular
//! value (within an optional tolerance)
template <typename MatchFuncArgType,
typename DataFuncArgType = MatchFuncArgType,
bool needsConversion = false>
class RDKIT_QUERY_EXPORT EqualityQuery
: public Query<MatchFuncArgType, DataFuncArgType, needsConversion> {
public:
EqualityQuery() { this->df_negate = false; }
//! constructs with our target value
explicit EqualityQuery(MatchFuncArgType v) {
this->d_val = v;
this->df_negate = false;
}
//! constructs with our target value and a tolerance
EqualityQuery(MatchFuncArgType v, MatchFuncArgType t) {
this->d_val = v;
this->d_tol = t;
this->df_negate = false;
}
//! sets our target value
void setVal(MatchFuncArgType what) { this->d_val = what; }
//! returns our target value
const MatchFuncArgType getVal() const { return this->d_val; }
//! sets our tolerance
void setTol(MatchFuncArgType what) { this->d_tol = what; }
//! returns out tolerance
const MatchFuncArgType getTol() const { return this->d_tol; }
bool Match(const DataFuncArgType what) const override {
MatchFuncArgType mfArg =
this->TypeConvert(what, Int2Type<needsConversion>());
if (queryCmp(this->d_val, mfArg, this->d_tol) == 0) {
return !this->getNegation();
} else {
return this->getNegation();
}
}
Query<MatchFuncArgType, DataFuncArgType, needsConversion> *copy()
const override {
EqualityQuery<MatchFuncArgType, DataFuncArgType, needsConversion> *res =
new EqualityQuery<MatchFuncArgType, DataFuncArgType, needsConversion>();
res->setNegation(this->getNegation());
res->setVal(this->d_val);
res->setTol(this->d_tol);
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();
res << " " << this->d_val;
if (this->getNegation()) {
res << " != ";
} else {
res << " = ";
}
res << "val";
return res.str();
}
};
} // namespace Queries
#endif
|