/usr/include/rdkit/Query/SetQuery.h is in librdkit-dev 201503-3.
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 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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