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RDKit
Open-source cheminformatics and machine learning.
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#include <FilterMatchers.h>
Public Member Functions | |
FilterHierarchyMatcher () | |
FilterHierarchyMatcher (const FilterMatcherBase &matcher) | |
std::string | getName () const override |
Return the name for this node (from the underlying FilterMatcherBase) More... | |
bool | isValid () const override |
returns true if this node has a valid matcher More... | |
void | setPattern (const FilterMatcherBase &matcher) |
Set a new FilterMatcherBase for this node. More... | |
boost::shared_ptr< FilterHierarchyMatcher > | addChild (const FilterHierarchyMatcher &hierarchy) |
bool | getMatches (const ROMol &mol, std::vector< FilterMatch > &matches) const override |
returns the FilterMatches against the given molecule More... | |
bool | hasMatch (const ROMol &mol) const override |
Does this node match the molecule. More... | |
boost::shared_ptr< FilterMatcherBase > | copy () const override |
copys the FilterHierarchyMatcher into a FilterMatcherBase More... | |
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FilterMatcherBase (std::string name=DEFAULT_FILTERMATCHERBASE_NAME) | |
FilterMatcherBase (const FilterMatcherBase &rhs) | |
virtual | ~FilterMatcherBase () |
virtual boost::shared_ptr< FilterMatcherBase > | Clone () const |
Definition at line 468 of file FilterMatchers.h.
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inline |
Definition at line 475 of file FilterMatchers.h.
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inline |
Constructs a FilterHierarchyMatcher from a FilterMatchBase A FilterHierarchyMatcher is a tree hierarchy where to match a child node, one needs to match the parent first. For each branch, the lowest nodes are returned when getting the filter matches.
Definition at line 484 of file FilterMatchers.h.
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inline |
add a FilterHierarchy as a child. returns the FilterHierarchy pointer used in the tree (this is a shallow copy of the original)
Definition at line 514 of file FilterMatchers.h.
References PRECONDITION.
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inlineoverridevirtual |
copys the FilterHierarchyMatcher into a FilterMatcherBase
Implements RDKit::FilterMatcherBase.
Definition at line 542 of file FilterMatchers.h.
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overridevirtual |
returns the FilterMatches against the given molecule
Implements RDKit::FilterMatcherBase.
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inlineoverridevirtual |
Return the name for this node (from the underlying FilterMatcherBase)
Reimplemented from RDKit::FilterMatcherBase.
Definition at line 488 of file FilterMatchers.h.
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inlineoverridevirtual |
Does this node match the molecule.
Implements RDKit::FilterMatcherBase.
Definition at line 536 of file FilterMatchers.h.
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inlineoverridevirtual |
returns true if this node has a valid matcher
Implements RDKit::FilterMatcherBase.
Definition at line 496 of file FilterMatchers.h.
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inline |
Set a new FilterMatcherBase for this node.
Definition at line 502 of file FilterMatchers.h.
References RDKit::FilterMatcherBase::copy(), RDKit::FilterMatcherBase::isValid(), and PRECONDITION.