SolventPredicate Class Reference

Predicate indicating solvent atoms. More...

#include <standardPredicates.h>

Inheritance diagram for SolventPredicate:

List of all members.

Public Member Functions
virtual bool	operator() (const Atom &atom) const throw ()
	Evaluate the predicate for the atom atom.

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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 SolventPredicate::operator() (  const Atom &  atom  )  const throw () [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 ExpressionPredicate.