BALL::ForceFieldParameters Class Reference
[Force
Field Parameters]
Force field
parameter class. More...
#include <forceFieldParameters.h>
Inheritance diagram for BALL::ForceFieldParameters:
[legend]
Public Member Functions |
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Constructors and destructor
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| ForceFieldParameters () | |
| Default constructor. |
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| ForceFieldParameters (const String &filename) | |
| Constructor. |
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| ForceFieldParameters (const ForceFieldParameters &force_field_parameter) | |
| Copy constructor. |
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| virtual | ~ForceFieldParameters () |
| Destructor. |
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Assignment
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| virtual void | clear () |
| Clear method. |
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| const ForceFieldParameters & | operator= (const ForceFieldParameters ¶m) |
| Assignment operator. |
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Accessors
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| AtomTypes & | getAtomTypes () |
| Return a reference to the atom type
parameter section. |
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| virtual bool | init () |
| Read the contents of the INI file
and interpret them. |
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Predicates
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| virtual bool | isValid () const |
| Valididty predicate. |
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| bool | operator== (const ForceFieldParameters ¶m) const |
| Equality operator. |
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Protected Attributes |
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| AtomTypes | atom_types_ |
Friends |
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| class | ForceField |
Detailed Description
Force field parameter class.Member Function Documentation
| 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.
