/usr/include/rdkit/Query/SetQuery.h is in librdkit-dev 201603.5+dfsg-1ubuntu1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// Copyright (c) 2003-2008 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.
//
#ifndef __RD_SETQUERY_H__
#define __RD_SETQUERY_H__
#include <set>
#include "Query.h"
#include <sstream>
#include <algorithm>
#include <iterator>
namespace Queries {
//! \brief a Query implementing a set: arguments must
//! one of a set of values
//!
template <class MatchFuncArgType, class DataFuncArgType = MatchFuncArgType,
bool needsConversion = false>
class SetQuery
: public Query<MatchFuncArgType, DataFuncArgType, needsConversion> {
public:
typedef std::set<MatchFuncArgType> CONTAINER_TYPE;
SetQuery() : Query<MatchFuncArgType, DataFuncArgType, needsConversion>(){};
//! insert an entry into our \c set
void insert(const MatchFuncArgType what) {
if (d_set.find(what) == this->d_set.end()) this->d_set.insert(what);
}
//! clears our \c set
void clear() { this->d_set.clear(); }
bool Match(const DataFuncArgType what) const {
MatchFuncArgType mfArg =
this->TypeConvert(what, Int2Type<needsConversion>());
return (this->d_set.find(mfArg) != this->d_set.end()) ^ this->getNegation();
};
Query<MatchFuncArgType, DataFuncArgType, needsConversion> *copy() const {
SetQuery<MatchFuncArgType, DataFuncArgType, needsConversion> *res =
new SetQuery<MatchFuncArgType, DataFuncArgType, needsConversion>();
res->setDataFunc(this->d_dataFunc);
typename std::set<MatchFuncArgType>::const_iterator i;
for (i = this->d_set.begin(); i != this->d_set.end(); ++i) {
res->insert(*i);
}
res->setNegation(this->getNegation());
res->d_description = this->d_description;
return res;
};
typename CONTAINER_TYPE::const_iterator beginSet() const {
return d_set.begin();
};
typename CONTAINER_TYPE::const_iterator endSet() const {
return d_set.end();
};
unsigned int size() const { return rdcast<unsigned int>(d_set.size()); };
std::string getFullDescription() const {
std::ostringstream res;
res << this->getDescription() << " val";
if (this->getNegation())
res << " not in ";
else
res << " in (";
std::copy(d_set.begin(), d_set.end(),
std::ostream_iterator<MatchFuncArgType>(res, ", "));
res << ")";
return res.str();
}
protected:
CONTAINER_TYPE d_set;
};
}
#endif
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