BALL
1.5.0
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#include <BALL/MOLMEC/COMMON/assignTypes.h>
Public Member Functions | |
Constructors and Destructors | |
AssignTypeNameProcessor (const String &filename, bool overwrite=false) | |
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AssignBaseProcessor () | |
void | setMaximumUnassignedAtoms (Size nr) |
Size | getMaximumUnassignedAtoms () const |
Size | getNumberOfUnassignedAtoms () const |
Get the number of atoms, for which the force field setup failed. More... | |
HashSet< const Atom * > & | getUnassignedAtoms () |
Get the atoms, for which the force field setup failed. More... | |
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UnaryProcessor () | |
UnaryProcessor (const UnaryProcessor &) | |
virtual | ~UnaryProcessor () |
virtual bool | start () |
virtual bool | finish () |
Processor related methods | |
StringHashMap< String > | type_map_ |
bool | overwrite_ |
virtual Processor::Result | operator() (Atom &atom) |
Additional Inherited Members | |
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typedef Processor::Result | result_type |
typedef Atom | argument_type |
typedef Atom & | argument_reference |
typedef Atom * | argument_pointer |
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const typedef Atom & | const_argument_reference |
const typedef Atom * | const_argument_pointer |
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HashSet< const Atom * > | unassigned_atoms_ |
Size | max_number_unassigned_atoms_ |
Assign type names to atoms.
Definition at line 97 of file assignTypes.h.
BALL::AssignTypeNameProcessor::AssignTypeNameProcessor | ( | const String & | filename, |
bool | overwrite = false |
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virtual |
operator ()
Reimplemented from BALL::UnaryProcessor< Atom >.
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protected |
Definition at line 125 of file assignTypes.h.
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protected |
Definition at line 123 of file assignTypes.h.