BALL 1.5.0
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a wrapper class which is used as an interface in the matching code to the pool More...
#include <BALL/STRUCTURE/smartsMatcher.h>
Public Member Functions | |
RecStruct_ () | |
default constructor | |
RecStruct_ (const RecStruct_ &rec_struct) | |
copy constructor | |
virtual | ~RecStruct_ () |
destructor | |
RecStruct_ & | operator= (const RecStruct_ &) |
assignment operator | |
void | add (const RecStruct_ &rec_struct) |
adds the content of the given struct | |
void | add (const RecStruct_ &rec_struct, Size i) |
adds the the ith part of the content of the given struct | |
void | clear () |
deletes all contents | |
void | dump (const String &name, Size depth_=0) |
dumps the contents (for debugging) | |
Public Attributes | |
std::vector< std::set< const Atom * > > & | matched_atoms |
reference to the matched atoms in the core structure | |
std::vector< std::map< const SPNode *, const Atom * > > & | mapped_atoms |
reference to the mapped SPNodes to Atoms in the core structure | |
std::vector< std::set< const Atom * > > & | visited_atoms |
reference to the visited atoms in the core structure | |
std::vector< std::set< const Bond * > > & | visited_bonds |
reference to the visited bonds in the core structure | |
std::vector< std::set< const SPEdge * > > & | visited_edges |
reference to the visited edges in the core structure | |
std::vector< std::pair< const SPNode *, const Atom * > > & | first_matches |
reference to the first matches in the core structure | |
a wrapper class which is used as an interface in the matching code to the pool
Definition at line 195 of file smartsMatcher.h.
BALL::SmartsMatcher::RecStruct_::RecStruct_ | ( | ) |
default constructor
BALL::SmartsMatcher::RecStruct_::RecStruct_ | ( | const RecStruct_ & | rec_struct | ) |
copy constructor
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virtual |
destructor
void BALL::SmartsMatcher::RecStruct_::add | ( | const RecStruct_ & | rec_struct | ) |
adds the content of the given struct
void BALL::SmartsMatcher::RecStruct_::add | ( | const RecStruct_ & | rec_struct, |
Size | i ) |
adds the the ith part of the content of the given struct
void BALL::SmartsMatcher::RecStruct_::clear | ( | ) |
deletes all contents
dumps the contents (for debugging)
RecStruct_ & BALL::SmartsMatcher::RecStruct_::operator= | ( | const RecStruct_ & | ) |
assignment operator
reference to the first matches in the core structure
Definition at line 231 of file smartsMatcher.h.
reference to the mapped SPNodes to Atoms in the core structure
Definition at line 219 of file smartsMatcher.h.
std::vector<std::set<const Atom*> >& BALL::SmartsMatcher::RecStruct_::matched_atoms |
reference to the matched atoms in the core structure
Definition at line 216 of file smartsMatcher.h.
std::vector<std::set<const Atom*> >& BALL::SmartsMatcher::RecStruct_::visited_atoms |
reference to the visited atoms in the core structure
Definition at line 222 of file smartsMatcher.h.
std::vector<std::set<const Bond*> >& BALL::SmartsMatcher::RecStruct_::visited_bonds |
reference to the visited bonds in the core structure
Definition at line 225 of file smartsMatcher.h.
std::vector<std::set<const SPEdge*> >& BALL::SmartsMatcher::RecStruct_::visited_edges |
reference to the visited edges in the core structure
Definition at line 228 of file smartsMatcher.h.