/usr/include/rdkit/Query/RangeQuery.h is in librdkit-dev 201309-1.
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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_RANGEQUERY_H__
#define __RD_RANGEQUERY_H__
#include "Query.h"
#include <utility>
namespace Queries {
//! \brief a Query implementing a range: arguments must
//! fall in a particular range of values.
//!
//! The ends of the range default to be open, but they can
//! individually set to be closed.
//!
//! There is also an optional tolerance to be used in comparisons
template <class MatchFuncArgType, class DataFuncArgType=MatchFuncArgType,
bool needsConversion=false>
class RangeQuery :
public Query<MatchFuncArgType, DataFuncArgType,needsConversion> {
public:
RangeQuery() : d_upper(0), d_lower(0), d_tol(0), df_upperOpen(true), df_lowerOpen(true){
this->df_negate = false;
};
//! construct and set the lower and upper bounds
RangeQuery(MatchFuncArgType lower,MatchFuncArgType upper) : d_upper(upper), d_lower(lower), d_tol(0), df_upperOpen(true), df_lowerOpen(true){
this->df_negate = false;
};
//! sets our upper bound
void setUpper (MatchFuncArgType what) { this->d_upper = what; };
//! returns our upper bound
const MatchFuncArgType getUpper() const { return this->d_upper; };
//! sets our lower bound
void setLower (MatchFuncArgType what) { this->d_lower = what; };
//! returns our lower bound
const MatchFuncArgType getLower() const { return this->d_lower; };
//! sets whether or not the ends of the range are open
void setEndsOpen(bool lower, bool upper) {
this->df_lowerOpen = lower;
this->df_upperOpen = upper;
};
//! returns the state of our ends (open or not)
std::pair<bool,bool> getEndsOpen() const {
return std::make_pair(this->df_lowerOpen,this->df_upperOpen);
};
//! sets our tolerance
void setTol(MatchFuncArgType what) { this->d_tol = what; };
//! returns our tolerance
const MatchFuncArgType getTol() const { return this->d_tol; };
bool Match(const DataFuncArgType what) const {
MatchFuncArgType mfArg = this->TypeConvert(what,Int2Type<needsConversion>());
int lCmp = queryCmp(this->d_lower,mfArg,this->d_tol);
int uCmp = queryCmp(this->d_upper,mfArg,this->d_tol);
bool lowerRes,upperRes;
if( this->df_lowerOpen ) lowerRes = lCmp < 0;
else lowerRes = lCmp <= 0;
if( this->df_upperOpen ) upperRes = uCmp > 0;
else upperRes = uCmp >= 0;
bool tempR = !(lowerRes && upperRes);
if( this->getNegation() ) return tempR;
else return !tempR;
};
Query<MatchFuncArgType,DataFuncArgType,needsConversion> *
copy( ) const {
RangeQuery<MatchFuncArgType,DataFuncArgType,needsConversion> *res =
new RangeQuery<MatchFuncArgType,DataFuncArgType,needsConversion>();
res->setUpper(this->d_upper);
res->setLower(this->d_lower);
res->setTol(this->d_tol);
res->setNegation(this->getNegation());
res->setEndsOpen(this->df_lowerOpen,this->df_upperOpen);
res->setDataFunc(this->d_dataFunc);
res->d_description = this->d_description;
return res;
};
protected:
MatchFuncArgType d_upper,d_lower;
MatchFuncArgType d_tol;
bool df_upperOpen,df_lowerOpen;
};
}
#endif
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