BALL::ForceFieldParameters Class Reference
[Force Field Parameters]
#include <BALL/MOLMEC/PARAMETER/forceFieldParameters.h>
Inheritance diagram for BALL::ForceFieldParameters:
Public Member Functions | |
Constructors and destructor | |
| ForceFieldParameters () | |
| ForceFieldParameters (const String &filename) | |
| ForceFieldParameters (const ForceFieldParameters &force_field_parameter) | |
| virtual | ~ForceFieldParameters () |
Assignment | |
| virtual void | clear () |
| const ForceFieldParameters & | operator= (const ForceFieldParameters ¶m) |
Accessors | |
| AtomTypes & | getAtomTypes () |
| virtual bool | init () |
Predicates | |
| virtual bool | isValid () const |
| bool | operator== (const ForceFieldParameters ¶m) const |
Protected Attributes | |
| AtomTypes | atom_types_ |
Friends | |
| class | ForceField |
Detailed Description
Force field parameter class.
Constructor & Destructor Documentation
| BALL::ForceFieldParameters::ForceFieldParameters | ( | ) |
Default constructor.
| BALL::ForceFieldParameters::ForceFieldParameters | ( | const String & | filename | ) |
Constructor.
| BALL::ForceFieldParameters::ForceFieldParameters | ( | const ForceFieldParameters & | force_field_parameter | ) |
Copy constructor
| virtual BALL::ForceFieldParameters::~ForceFieldParameters | ( | ) | [virtual] |
Destructor.
Member Function Documentation
| virtual void BALL::ForceFieldParameters::clear | ( | ) | [virtual] |
Clear method
Reimplemented from BALL::Parameters.
| AtomTypes& BALL::ForceFieldParameters::getAtomTypes | ( | ) |
Return a reference to the atom type parameter section
| virtual bool BALL::ForceFieldParameters::init | ( | ) | [virtual] |
Read the contents of the INI file and interpret them.
Reimplemented from BALL::Parameters.
| virtual bool BALL::ForceFieldParameters::isValid | ( | ) | const [virtual] |
Valididty predicate. Return true if the force field parameters were correctly initialized, the internal INI file is valid and the internal atom types object is valid.
- Returns:
- bool -
valid_ && parameter_file_.isValid() && atom_types_.isValid()
Reimplemented from BALL::Parameters.
| const ForceFieldParameters& BALL::ForceFieldParameters::operator= | ( | const ForceFieldParameters & | param | ) |
Assignment operator
| bool BALL::ForceFieldParameters::operator== | ( | const ForceFieldParameters & | param | ) | const |
Equality operator
Friends And Related Function Documentation
friend class ForceField [friend] |
Member Data Documentation
AtomTypes BALL::ForceFieldParameters::atom_types_ [protected] |