BALL  1.4.79
Public Member Functions | Public Attributes | Static Public Attributes | List of all members
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 ()
 

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

- Protected Attributes inherited from BALL::ExpressionPredicate
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.