33 #ifndef CARTESIANPRODUCT_H 34 #define CARTESIANPRODUCT_H 70 size_t m_numPermutationsProcessed;
79 m_numPermutationsProcessed = 0;
82 virtual const char *
type()
const {
return "CartesianProductStrategy"; }
86 if (m_numPermutationsProcessed) {
89 ++m_numPermutationsProcessed;
95 return m_numPermutationsProcessed; }
97 virtual operator bool()
const {
return hasNext(); }
106 ++m_numPermutationsProcessed;
109 bool hasNext()
const {
119 void next(
size_t rowToIncrement) {
120 if (!hasNext())
return;
125 next(rowToIncrement + 1);
130 #ifdef RDK_USE_BOOST_SERIALIZATION 131 friend class boost::serialization::access;
132 template <
class Archive>
133 void serialize(Archive &ar,
const unsigned int ) {
134 ar &boost::serialization::base_object<EnumerationStrategyBase>(*this);
135 ar &m_numPermutationsProcessed;
141 #ifdef RDK_USE_BOOST_SERIALIZATION
void initialize(const ChemicalReaction &reaction, const EnumerationTypes::BBS &building_blocks)
This is a class for storing and applying general chemical reactions.
static const boost::uint64_t EnumerationOverflow
boost::uint64_t m_numPermutations
EnumerationTypes::RGROUPS m_permutation
virtual boost::uint64_t getPermutationIdx() const
Returns how many permutations have been processed by this strategy.
EnumerationStrategyBase * copy() const
copy the enumeration strategy complete with current state
std::vector< MOL_SPTR_VECT > BBS
virtual const EnumerationTypes::RGROUPS & next()
The current permutation {r1, r2, ...}.
std::vector< boost::uint64_t > RGROUPS
CartesianProductStrategy()
This is a class for enumerating reagents using Cartesian Products of.
virtual void initializeStrategy(const ChemicalReaction &, const EnumerationTypes::BBS &)
virtual const char * type() const
EnumerationTypes::RGROUPS m_permutationSizes