Only used for deriving interface. More...
#include <BALL/MOLMEC/COMMON/assignTypes.h>
Public Member Functions | |
AssignBaseProcessor () | |
void | setMaximumUnassignedAtoms (Size nr) |
Size | getMaximumUnassignedAtoms () const |
Size | getNumberOfUnassignedAtoms () const |
Get the number of atoms, for which the force field setup failed. | |
HashSet< const Atom * > & | getUnassignedAtoms () |
Get the atoms, for which the force field setup failed. | |
Protected Attributes | |
HashSet< const Atom * > | unassigned_atoms_ |
Size | max_number_unassigned_atoms_ |
Only used for deriving interface.
BALL::AssignBaseProcessor::AssignBaseProcessor | ( | ) |
Size BALL::AssignBaseProcessor::getMaximumUnassignedAtoms | ( | ) | const |
Get the number of atoms, for which the setup of the forcefield can fail, until the setup() methods aborts and return false.
Size BALL::AssignBaseProcessor::getNumberOfUnassignedAtoms | ( | ) | const |
Get the number of atoms, for which the force field setup failed.
Get the atoms, for which the force field setup failed.
void BALL::AssignBaseProcessor::setMaximumUnassignedAtoms | ( | Size | nr | ) |
Set the number of atoms, for which the setup of the forcefield can fail, until the setup() methods aborts and return false. By default, there is no limit set.
HashSet<const Atom*> BALL::AssignBaseProcessor::unassigned_atoms_ [protected] |