BALL
1.4.1
|
#include <BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h>
Public Member Functions | |
ComputingData_ () | |
~ComputingData_ () | |
Public Attributes | |
vector< FPTBondOrderAssignment_ * > | bond_assignments |
MolecularGraph * | molecule_graph |
boost::shared_ptr< TreeWidth < MolecularGraph > > | tw |
vector< Bond const * > | bonds |
This data structure contains all algorithm data which is generated during the #start function and which can be shared above more than one FPTBondOrderStrategy "iterator", if they compute all the same molecule with the same penalty table.
Definition at line 654 of file FPTBondOrderStrategy.h.
Default constructor
Deletes the dynamic programming table, the molecule graph and the nice tree decomposition
The bond assignments for each connection component of this molecule
Definition at line 670 of file FPTBondOrderStrategy.h.
vector<Bond const *> BALL::FPTBondOrderStrategy::ComputingData_::bonds |
a vector with pointers to the bonds of the atom container. The order of this bonds in the vector is the same as the order of the bond values in the assignments.
Definition at line 686 of file FPTBondOrderStrategy.h.
the molecule graph
Definition at line 675 of file FPTBondOrderStrategy.h.
boost::shared_ptr<TreeWidth<MolecularGraph> > BALL::FPTBondOrderStrategy::ComputingData_::tw |
The nice tree decompositions for each connection component
Definition at line 680 of file FPTBondOrderStrategy.h.