mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
5f85129f22
this is minor build-system variations and some code cleanup the python wrapper still needs cleanup and the sln stuff doesn't work at all under clang due to weirdness with boost::regex
79 lines
2.3 KiB
C++
79 lines
2.3 KiB
C++
//
|
|
// 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"
|
|
|
|
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){
|
|
//std::cout << "SET QUERY INSERT: " << what << std::endl;
|
|
if(d_set.find(what) == this->d_set.end()) this->d_set.insert(what);
|
|
}
|
|
|
|
//! clears our \c set
|
|
void clear(){
|
|
//std::cout << "SET QUERY CLEAR " << std::endl;
|
|
this->d_set.clear();
|
|
}
|
|
|
|
bool Match(const DataFuncArgType what) const {
|
|
MatchFuncArgType mfArg = this->TypeConvert(what,Int2Type<needsConversion>());
|
|
//std::cerr << "SET QUERY SEARCH: " << mfArg << ": " << (d_set.find(mfArg)==d_set.end()) << std::endl;
|
|
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();
|
|
};
|
|
|
|
protected:
|
|
CONTAINER_TYPE d_set;
|
|
};
|
|
|
|
}
|
|
#endif
|