mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +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
79 lines
2.3 KiB
C++
79 lines
2.3 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_GREATERQUERY_H
|
|
#define RD_GREATERQUERY_H
|
|
#include "Query.h"
|
|
#include "EqualityQuery.h"
|
|
|
|
namespace Queries {
|
|
//! \brief a Query implementing > using a particular
|
|
//! value (and an optional tolerance)
|
|
template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
|
|
bool needsConversion = false>
|
|
class RDKIT_QUERY_EXPORT GreaterQuery
|
|
: public EqualityQuery<MatchFuncArgType, DataFuncArgType, needsConversion> {
|
|
public:
|
|
GreaterQuery() { this->d_tol = 0; };
|
|
//! constructs with our target value
|
|
explicit GreaterQuery(DataFuncArgType v) {
|
|
this->d_val = v;
|
|
this->d_tol = 0;
|
|
this->df_negate = false;
|
|
};
|
|
//! constructs with our target value and a tolerance
|
|
GreaterQuery(DataFuncArgType v, DataFuncArgType t) {
|
|
this->d_val = v;
|
|
this->d_tol = t;
|
|
this->df_negate = false;
|
|
};
|
|
|
|
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;
|
|
}
|
|
};
|
|
|
|
Query<MatchFuncArgType, DataFuncArgType, needsConversion> *copy() const {
|
|
GreaterQuery<MatchFuncArgType, DataFuncArgType, needsConversion> *res =
|
|
new GreaterQuery<MatchFuncArgType, DataFuncArgType, needsConversion>();
|
|
res->setVal(this->d_val);
|
|
res->setTol(this->d_tol);
|
|
res->setNegation(this->getNegation());
|
|
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 << " > ";
|
|
return res.str();
|
|
};
|
|
};
|
|
} // namespace Queries
|
|
#endif
|