Class for storing atomic queries. More...
#include <QueryAtom.h>
Public Types | |
| typedef Queries::Query< int, Atom const *, true > | QUERYATOM_QUERY |
Public Member Functions | |
| QueryAtom () | |
| QueryAtom (int num) | |
| QueryAtom (const Atom &other) | |
| QueryAtom (const QueryAtom &other) | |
| ~QueryAtom () | |
| Atom * | copy () const |
| returns a copy of this query, owned by the caller | |
| bool | hasQuery () const |
| void | setQuery (QUERYATOM_QUERY *what) |
| replaces our current query with the value passed in | |
| QUERYATOM_QUERY * | getQuery () const |
| returns our current query | |
| void | expandQuery (QUERYATOM_QUERY *what, Queries::CompositeQueryType how=Queries::COMPOSITE_AND, bool maintainOrder=true) |
| expands our current query | |
| bool | Match (const Atom::ATOM_SPTR what) const |
returns true if we match Atom what | |
| bool | Match (Atom const *what) const |
Detailed Description
Class for storing atomic queries.
QueryAtom objects are derived from Atom objects, so they can be added to molecules and the like, but they have much fancier querying capabilities.
Definition at line 26 of file QueryAtom.h.
Member Typedef Documentation
| typedef Queries::Query<int,Atom const *,true> RDKit::QueryAtom::QUERYATOM_QUERY |
Reimplemented from RDKit::Atom.
Definition at line 28 of file QueryAtom.h.
Constructor & Destructor Documentation
| RDKit::QueryAtom::QueryAtom | ( | ) | [inline] |
Definition at line 30 of file QueryAtom.h.
| RDKit::QueryAtom::QueryAtom | ( | int | num | ) | [inline, explicit] |
Definition at line 31 of file QueryAtom.h.
| RDKit::QueryAtom::QueryAtom | ( | const Atom & | other | ) | [inline, explicit] |
Definition at line 32 of file QueryAtom.h.
| RDKit::QueryAtom::QueryAtom | ( | const QueryAtom & | other | ) | [inline] |
Definition at line 33 of file QueryAtom.h.
| RDKit::QueryAtom::~QueryAtom | ( | ) |
Member Function Documentation
| Atom* RDKit::QueryAtom::copy | ( | ) | const [virtual] |
returns a copy of this query, owned by the caller
Reimplemented from RDKit::Atom.
| void RDKit::QueryAtom::expandQuery | ( | QUERYATOM_QUERY * | what, | |
| Queries::CompositeQueryType | how = Queries::COMPOSITE_AND, |
|||
| bool | maintainOrder = true | |||
| ) | [virtual] |
expands our current query
- Parameters:
-
what the Queries::Query to be added how the operator to be used in the expansion maintainOrder (optional) flags whether the relative order of the queries needs to be maintained, if this is false, the order is reversed Notes: whatshould probably be constructed using one of the functions defined in QueryOps.h- the
maintainOrderoption can be useful because the combination operators short circuit when possible.
Reimplemented from RDKit::Atom.
| QUERYATOM_QUERY* RDKit::QueryAtom::getQuery | ( | ) | const [inline, virtual] |
returns our current query
Reimplemented from RDKit::Atom.
Definition at line 46 of file QueryAtom.h.
| bool RDKit::QueryAtom::hasQuery | ( | ) | const [inline, virtual] |
Reimplemented from RDKit::Atom.
Definition at line 41 of file QueryAtom.h.
| bool RDKit::QueryAtom::Match | ( | Atom const * | what | ) | const [virtual] |
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
Reimplemented from RDKit::Atom.
| bool RDKit::QueryAtom::Match | ( | const Atom::ATOM_SPTR | what | ) | const [virtual] |
returns true if we match Atom what
Reimplemented from RDKit::Atom.
| void RDKit::QueryAtom::setQuery | ( | QUERYATOM_QUERY * | what | ) | [inline, virtual] |
replaces our current query with the value passed in
Reimplemented from RDKit::Atom.
Definition at line 44 of file QueryAtom.h.
The documentation for this class was generated from the following file:
Generated on Sat Jan 7 2012 16:09:38 for RDKit by
1.7.1