BALL::ChemScoreMetal Class Reference
ChemScore Metal component { Definition:} {BALL/MOLMEC/SLICK/chemScoreMetal.h}. More...#include <metal.h>
Inheritance diagram for BALL::ChemScoreMetal:
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Public Member Functions |
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Constructors and Destructors
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| ChemScoreMetal () | |
| Default constructor. |
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| ChemScoreMetal (ForceField &force_field) | |
| Constructor. |
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| ChemScoreMetal (const ChemScoreMetal &csm) | |
| Copy constructor. |
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| virtual | ~ChemScoreMetal () |
| Destructor. |
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Assignment
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| const ChemScoreMetal & | operator= (const ChemScoreMetal &csm) |
| Assignment. |
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| virtual void | clear () |
| Clear method. |
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Predicates.
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| bool | operator== (const ChemScoreMetal &csm) const |
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Setup Methods
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| virtual bool | setup () |
| Setup method. |
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Accessors
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| virtual double | updateEnergy () |
| Calculates and returns the
component's energy. |
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| virtual void | updateForces () |
| Calculates and returns the
component's forces. |
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