BALL 1.5.0
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BALL::SMARTSPredicate Class Reference

#include <BALL/KERNEL/standardPredicates.h>

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

Public Member Functions

 SMARTSPredicate ()
 SMARTSPredicate (const SMARTSPredicate &pred)
virtual ~SMARTSPredicate ()
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 ()
virtual bool operator() (const Atom &) const

Public Attributes

SmartsMatcher matcher_
Moleculelast_molecule_
AromaticityProcessor arom_proc_
RingPerceptionProcessor ring_proc_
HashSet< Atom * > matches_

Static Public Attributes

static HashMap< Molecule *, TimeStampcall_time_map_
static Molecule dummy_molecule_

Additional Inherited Members

String argument_

Detailed Description

Predicate for using smarts

Definition at line 899 of file standardPredicates.h.

Constructor & Destructor Documentation

◆ SMARTSPredicate() [1/2]

BALL::SMARTSPredicate::SMARTSPredicate ( )

◆ SMARTSPredicate() [2/2]

BALL::SMARTSPredicate::SMARTSPredicate ( const SMARTSPredicate & pred)

◆ ~SMARTSPredicate()

virtual BALL::SMARTSPredicate::~SMARTSPredicate ( )
virtual

Member Function Documentation

◆ operator()()

virtual bool BALL::SMARTSPredicate::operator() ( const Atom & atom) const
virtual
Parameters
atomthe atom to test
Returns
true, if the predicate is true, false otherwise

Reimplemented from BALL::ExpressionPredicate.

Member Data Documentation

◆ arom_proc_

AromaticityProcessor BALL::SMARTSPredicate::arom_proc_
mutable

Definition at line 923 of file standardPredicates.h.

◆ call_time_map_

HashMap<Molecule*, TimeStamp> BALL::SMARTSPredicate::call_time_map_
static

Definition at line 926 of file standardPredicates.h.

◆ dummy_molecule_

Molecule BALL::SMARTSPredicate::dummy_molecule_
static

Definition at line 927 of file standardPredicates.h.

◆ last_molecule_

Molecule* BALL::SMARTSPredicate::last_molecule_
mutable

Definition at line 922 of file standardPredicates.h.

◆ matcher_

SmartsMatcher BALL::SMARTSPredicate::matcher_
mutable

Definition at line 921 of file standardPredicates.h.

◆ matches_

HashSet<Atom*> BALL::SMARTSPredicate::matches_
mutable

Definition at line 928 of file standardPredicates.h.

◆ ring_proc_

RingPerceptionProcessor BALL::SMARTSPredicate::ring_proc_
mutable

Definition at line 924 of file standardPredicates.h.