mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
c9199cf1da
* add test export heder to gitignore * define export macros in separate file * install new header * patch GA with the new macros * fix struct declarations * fix conformerparser exports * fix MolSGroupParsing ParseV3000Array export * fix java wrappers * export exceptions * remove duplicated exports * Build RDGeneral exceptions into lib * export queries, only for *nix * fix RingDecomposerLib header manipulation * fix CIP labeler test issues
96 lines
2.7 KiB
C++
96 lines
2.7 KiB
C++
//
|
|
// 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; };
|
|
|
|
virtual bool Match(const DataFuncArgType what) const {
|
|
MatchFuncArgType mfArg =
|
|
this->TypeConvert(what, Int2Type<needsConversion>());
|
|
if (queryCmp(this->d_val, mfArg, this->d_tol) == 0) {
|
|
if (this->getNegation()) {
|
|
return false;
|
|
} else {
|
|
return true;
|
|
}
|
|
} else {
|
|
if (this->getNegation()) {
|
|
return true;
|
|
} else {
|
|
return false;
|
|
}
|
|
}
|
|
};
|
|
|
|
virtual Query<MatchFuncArgType, DataFuncArgType, needsConversion> *copy()
|
|
const {
|
|
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 {
|
|
std::ostringstream res;
|
|
res << this->getDescription();
|
|
res << " " << this->d_val;
|
|
if (this->getNegation())
|
|
res << " != ";
|
|
else
|
|
res << " = ";
|
|
res << "val";
|
|
return res.str();
|
|
}
|
|
};
|
|
} // namespace Queries
|
|
#endif
|