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RDKit
Open-source cheminformatics and machine learning.
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11 #ifndef _RD_QUERYATOM_H_
12 #define _RD_QUERYATOM_H_
36 dp_query = other.dp_query->
copy();
39 if (
this == &other)
return *
this;
42 dp_query = other.dp_query->
copy();
51 bool hasQuery()
const {
return dp_query != 0; };
78 void expandQuery(QUERYATOM_QUERY *what,
80 bool maintainOrder =
true);
83 bool Match(
Atom const *what)
const;
86 bool QueryMatch(
QueryAtom const *what)
const;
89 QUERYATOM_QUERY *dp_query;
97 for (
unsigned int i = 0; i < depth; ++i) res +=
" ";
101 res +=
qhelper((*ci).get(), depth + 1);
109 std::string res =
"";
CHILD_VECT::const_iterator CHILD_VECT_CI
virtual Query< MatchFuncArgType, DataFuncArgType, needsConversion > * copy() const
returns a copy of this Query
Pulls in all the query types.
virtual bool hasQuery() const
void setQuery(QUERYATOM_QUERY *what)
replaces our current query with the value passed in
std::string describeQuery(const Atom *atom)
virtual QUERYATOM_QUERY * getQuery() const
NOT CALLABLE.
The class for representing atoms.
Defines the Atom class and associated typedefs.
std::string qhelper(Atom::QUERYATOM_QUERY *q, unsigned int depth)
QueryAtom(const Atom &other)
#define RDKIT_GRAPHMOL_EXPORT
QUERYATOM_QUERY * getQuery() const
returns our current query
CHILD_VECT_CI endChildren() const
returns an iterator for the end of our child vector
virtual std::string getFullDescription() const
returns a fuller text description
CHILD_VECT_CI beginChildren() const
returns an iterator for the beginning of our child vector
#define PRECONDITION(expr, mess)
QueryAtom & operator=(const QueryAtom &other)
Base class for all queries.
Queries::Query< int, Atom const *, true > QUERYATOM_QUERY
Class for storing atomic queries.
QueryAtom(const QueryAtom &other)
T * makeAtomNumQuery(int what, const std::string &descr)
returns a Query for matching atomic number
Atom & operator=(const Atom &other)