BALL::SolventPredicate Class Reference

#include <BALL/KERNEL/standardPredicates.h>

Inheritance diagram for BALL::SolventPredicate:

List of all members.

Public Member Functions
virtual bool	operator() (const Atom &atom) const

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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

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Member Function Documentation

virtual bool BALL::SolventPredicate::operator()

(

const Atom &

atom

)

const [virtual]

Evaluate the predicate for the atom atom.

Parameters:

atom

the atom to test

Returns:

true, if the predicate is true, false otherwise

Reimplemented from BALL::ExpressionPredicate.