BALL  1.4.1
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BALL::SolventPredicate Class Reference

#include <BALL/KERNEL/standardPredicates.h>

Inheritance diagram for BALL::SolventPredicate:
BALL::ExpressionPredicate BALL::UnaryPredicate< Atom >

Public Member Functions

virtual bool operator() (const Atom &atom) const
- Public Member Functions inherited from BALL::ExpressionPredicate
 ExpressionPredicate ()
 ExpressionPredicate (const ExpressionPredicate &predicate)
 ExpressionPredicate (const String &argument)
virtual ~ExpressionPredicate ()
ExpressionPredicateoperator= (const ExpressionPredicate &predicate)
virtual void clear ()
bool operator== (const ExpressionPredicate &predicate) const
virtual void setArgument (const String &argument)
const StringgetArgument () const
- Public Member Functions inherited from BALL::UnaryPredicate< Atom >
virtual ~UnaryPredicate ()

Additional Inherited Members

- Protected Attributes inherited from BALL::ExpressionPredicate
String argument_

Detailed Description

Predicate indicating solvent atoms. Returns true, if the atom belongs to a solvent molecule. This predicate is true if the atom is contained in a molecule with the property Molecule::IS_SOLVENT set. This is usually the case for solvents added automatically by a force field.

See Also
PeriodicBoundary::addSolvent

Definition at line 243 of file standardPredicates.h.

Member Function Documentation

virtual bool BALL::SolventPredicate::operator() ( const Atom atom) const
virtual

Evaluate the predicate for the atom atom.

Parameters
atomthe atom to test
Returns
true, if the predicate is true, false otherwise

Reimplemented from BALL::ExpressionPredicate.