#include <assignTypes.h>
Public Member Functions |
|
void | 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. |
|
Size | 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 | 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 |
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HashSet< const Atom * > | unassigned_atoms_ |
Size | max_number_unassigned_atoms_ |
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.