LIBINT  2.1.0-stable
Public Types | Public Member Functions | Static Public Member Functions | Protected Member Functions | Static Protected Member Functions | Protected Attributes | List of all members
libint2::GenIntegralSet< Oper, BFS, BraSetType, KetSetType, AuxQuanta > Class Template Reference

GenIntegralSet is a set of integrals over functions derived from BFS. More...

#include <integral.h>

Inheritance diagram for libint2::GenIntegralSet< Oper, BFS, BraSetType, KetSetType, AuxQuanta >:
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Collaboration diagram for libint2::GenIntegralSet< Oper, BFS, BraSetType, KetSetType, AuxQuanta >:
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Public Types

typedef GenIntegralSet this_type
 
typedef GenIntegralSet< typename Oper::iter_type, BFS, typename BraSetType::iter_type, typename KetSetType::iter_type, typename AuxQuanta::iter_type > iter_type
 GenIntegralSet is a set of these subobjects.
 
typedef IntegralSet< BFS > parent_type
 GenIntegralSet is derived from IntegralSet.
 
typedef PtrEquiv< GenIntegralSetPtrComp
 This type provides comparison operations on pointers to GenIntegralSet.
 
typedef mpz_class key_type
 
typedef std::string key_type
 
typedef SingletonStack< GenIntegralSet, key_type > SingletonManagerType
 This the type of the object that manages GenIntegralSet's as Singletons.
 
typedef Oper OperType
 This is the type of the operator.
 
typedef BraSetType::bfs_type BasisFunctionType
 This is the real type of basis functions.
 
typedef BraSetType BraType
 
typedef KetSetType KetType
 
typedef Oper OperatorType
 
typedef AuxQuanta AuxQuantaType
 
- Public Types inherited from libint2::DGVertex
typedef MemoryManager::Address Address
 The address on the stack during computation is described using this type.
 
typedef MemoryManager::Size Size
 The size of a block the stack during computation is described using this type.
 
typedef NotSet< AddressAddressNotSet
 Exception thrown if address is not set.
 
typedef NotSet< std::string > GraphLabelNotSet
 Exception thrown if graph label is not set.
 
typedef NotSet< std::string > SymbolNotSet
 Exception thrown if code symbol is not set.
 
typedef KeyTypes::ClassID ClassID
 Type identifier.
 
typedef KeyTypes::InstanceID InstanceID
 Instance identifier.
 
typedef KeyTypes::InstanceID KeyType
 DGVertex provides function key() which computes key of type KeyType and returns it using KeyReturnType.
 
typedef Hashable< KeyType, ComputeKey >::KeyReturnType KeyReturnType
 
typedef std::list< SafePtr< DGArc > > ArcSetType
 ArcSetType is a container used to maintain entry and exit arcs.
 
- Public Types inherited from libint2::Hashable< KeyTypes::InstanceID, ComputeKey >
typedef KeyTraits< KeyTypes::InstanceID >::ReturnType KeyReturnType
 

Public Member Functions

virtual ~GenIntegralSet ()
 No constructors are public since this is a singleton-like quantity. More...
 
virtual bool operator== (const GenIntegralSet &) const
 Comparison operator.
 
bool equiv (const SafePtr< DGVertex > &v) const
 Specialization of DGVertex::equiv()
 
virtual unsigned int size () const
 Specialization of DGVertex::size()
 
virtual const std::string & label () const
 Specialization of DGVertex::label()
 
virtual const std::string & id () const
 Specialization of DGVertex::id()
 
virtual std::string description () const
 Specialization of DGVertex::description()
 
unsigned int num_part () const
 Implementation of IntegralSet::num_part.
 
virtual unsigned int num_func_bra (unsigned int p) const
 Implementation of IntegralSet::num_func_bra.
 
virtual unsigned int num_func_ket (unsigned int p) const
 Implementation of IntegralSet::num_func_ket.
 
BraSetType::bfs_cref bra (unsigned int p, unsigned int i) const
 Implementation of IntegralSet::bra() const.
 
KetSetType::bfs_cref ket (unsigned int p, unsigned int i) const
 Implementation of IntegralSet::ket() const.
 
BraSetType::bfs_ref bra (unsigned int p, unsigned int i)
 Implementation of IntegralSet::bra()
 
KetSetType::bfs_ref ket (unsigned int p, unsigned int i)
 Implementation of IntegralSet::ket()
 
const SafePtr< Operoper () const
 Obtain the operator.
 
const BraType & bra () const
 Obtain const ref to bra.
 
const KetType & ket () const
 Obtain const ref to bra.
 
const SafePtr< AuxQuanta > aux () const
 Obtain the auxiliary quanta.
 
DGVertex::KeyReturnType key () const
 Implements Hashable::key()
 
void unregister () const
 Reimplements DGVertex::unregister()
 
- Public Member Functions inherited from libint2::IntegralSet< BFS >
virtual unsigned int np () const =0
 Return the number of particles.
 
- Public Member Functions inherited from libint2::DGVertex
 DGVertex (ClassID tid)
 Sets typeid to tid.
 
 DGVertex (ClassID tid, const std::vector< SafePtr< DGArc > > &parents, const std::vector< SafePtr< DGArc > > &children)
 Sets typeid to tid.
 
 DGVertex (const DGVertex &v)
 This is a copy constructor.
 
void make_a_target ()
 make_a_target() marks this vertex as a target
 
bool is_a_target () const
 is_a_target() returns true if this vertex is a target
 
virtual void add_exit_arc (const SafePtr< DGArc > &)
 add_exit_arc(arc) adds arc as an arc connecting to children of this vertex. More...
 
virtual void del_exit_arcs ()
 del_exit_arcs() removes all exit arcs from this and corresponding children vertices. More...
 
void replace_exit_arc (const SafePtr< DGArc > &A, const SafePtr< DGArc > &B)
 replace_exit_arc() replaces A with B. More...
 
void detach ()
 this function detaches the vertex from other vertices. More...
 
const ArcSetTypeexit_arcs () const
 
const ArcSetTypeentry_arcs () const
 
unsigned int num_entry_arcs () const
 returns the number of parents
 
ArcSetType::const_iterator first_entry_arc () const
 returns parents::begin()
 
ArcSetType::const_iterator plast_entry_arc () const
 returns parents::end()
 
unsigned int num_exit_arcs () const
 returns the number of children
 
ArcSetType::const_iterator first_exit_arc () const
 returns children::begin()
 
ArcSetType::const_iterator plast_exit_arc () const
 returns children::end()
 
const SafePtr< DGArc > & exit_arc (const SafePtr< DGVertex > &v) const
 return arc connecting this to v, otherwise null pointer
 
bool precomputed () const
 precomputed() returns whether this DGVertex is precomputed. More...
 
virtual void print (std::ostream &os) const
 print(os) prints vertex info to os
 
const DirectedGraphdg () const
 Returns pointer to the DirectedGraph to which this DGVertex belongs to.
 
void dg (const DirectedGraph *d)
 Sets pointer to the DirectedGraph to which this DGVertex belongs to. Should be used with utmost caution.
 
const std::string & graph_label () const
 returns the label used for this vertex when visualizing graph. can throw GraphLabelNotSet.
 
void set_graph_label (const std::string &graph_label)
 sets the graph label
 
const SafePtr< DRTree > & subtree () const
 Returns the subtree to which this vertex belongs.
 
void refer_this_to (const SafePtr< DGVertex > &V)
 refer_this_to(V) makes this vertex act like a reference to V so that calls to symbol() and address() report code symbol and stack address of V
 
bool refers_to_another () const
 refers to another vertex?
 
const std::string & symbol () const
 returns the code symbol. can throw SymbolNotSet
 
void set_symbol (const std::string &symbol)
 sets the code symbol
 
bool symbol_set () const
 returns true if the symbol has been set
 
void reset_symbol ()
 this function void the symbol, i.e. it is no longer set after calling this member
 
Address address () const
 returns the address of this quantity on Libint's stack. can throw AddressNotSet
 
void set_address (const Address &address)
 sets the address of this quantity on Libint's stack
 
bool address_set () const
 returns true if the address has been set
 
void need_to_compute (bool ntc)
 indicates whether this vertex needs to be computed. More...
 
void not_need_to_compute ()
 shortcut to need_to_compute(false)
 
bool need_to_compute () const
 returns true if this index needs to be computed.
 
bool declared () const
 
void declared (bool d)
 
void prepare_to_traverse ()
 prepare_to_traverse() must be called before traversal of the graph starts
 
unsigned int tag ()
 tag() tags the vertex and returns the total number of tags this vertex has received
 
void schedule ()
 schedule() marks the vertex as scheduled, hence its code exists
 
bool scheduled () const
 scheduled() returns true if the vertex has been scheduled
 
SafePtr< DGVertexpostcalc () const
 Returns pointer to vertex to be computed after this vertex, 0 if this is the last vertex.
 
void set_postcalc (const SafePtr< DGVertex > &postcalc)
 Sets postcalc.
 
void reset ()
 Resets the vertex, releasing all arcs.
 

Static Public Member Functions

static const SafePtr< GenIntegralSetInstance (const BraSetType &bra, const KetSetType &ket, const AuxQuanta &aux, const Oper &oper=Oper())
 Returns a pointer to a unique instance, a la Singleton.
 

Protected Member Functions

 GenIntegralSet (const Oper &oper, const BraSetType &bra, const KetSetType &ket, const AuxQuanta &aux)
 
void set_size (unsigned int sz)
 set size to sz
 
virtual bool this_precomputed () const
 Specialization of DGVertex::this_precomputed()
 
void reset_cache ()
 Resets all cached values.
 

Static Protected Member Functions

static key_type compute_key (const Oper &O, const BraType &bra, const KetType &ket, const AuxQuanta &aux)
 computes a key. it's protected so that derived classes can use it to implement smart caching in constructors
 

Protected Attributes

BraSetType bra_
 
KetSetType ket_
 
- Protected Attributes inherited from libint2::Hashable< KeyTypes::InstanceID, ComputeKey >
KeyStore< KeyTypes::InstanceID, OwnKey< KeyMP >::result > key_
 

Additional Inherited Members

- Public Attributes inherited from libint2::DGVertex
ClassID typeid_
 typeid stores the ClassID of the concrete type. More...
 
InstanceID instid_
 instid stores the InstanceID of the object. More...
 

Detailed Description

template<class Oper, class BFS, class BraSetType, class KetSetType, class AuxQuanta = EmptySet>
class libint2::GenIntegralSet< Oper, BFS, BraSetType, KetSetType, AuxQuanta >

GenIntegralSet is a set of integrals over functions derived from BFS.

Template Parameters
OperAn operator or a set of operators. Oper must be derived from OperSet.
BraSetTypeType describing a set of bra functions. An example of a class that can be used as BraSetType is VectorBraket.
KetSetTypeType describing a set of ket functions. An example of a class that can be used as KetSetType is VectorBraket.
AuxQuantaType describing a set of auxiliary quantum numbers. AuxQuanta should be derived from QuantumSet.

Constructor & Destructor Documentation

template<class Op , class BFS , class BraSetType , class KetSetType , class AuxQuanta >
libint2::GenIntegralSet< Op, BFS, BraSetType, KetSetType, AuxQuanta >::~GenIntegralSet ( )
virtual

No constructors are public since this is a singleton-like quantity.

Instead, access is provided through Instance().

Derived classes do not have to be Singletons – hence protected constructors are provided.GenIntegralSet objects can be handled through the base pointer – hence the destructor is virtual


The documentation for this class was generated from the following file: