/usr/include/rdkit/Query/EqualityQuery.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) 2003-2006 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_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 EqualityQuery : public Query<MatchFuncArgType, DataFuncArgType,needsConversion> {
public:
EqualityQuery() : d_tol(0) {
this->df_negate=false;
};
//! constructs with our target value
explicit EqualityQuery(MatchFuncArgType v) : d_val(v), d_tol(0) {
this->df_negate=false;
};
//! constructs with our target value and a tolerance
EqualityQuery(MatchFuncArgType v,MatchFuncArgType t) : d_val(v), 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;
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();
}
protected:
MatchFuncArgType d_val;
MatchFuncArgType d_tol;
};
}
#endif
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