RDKit
Open-source cheminformatics and machine learning.
|
#include <Rules.h>
Public Member Functions | |
Rules ()=delete | |
Rules (std::initializer_list< SequenceRule * > rules) | |
~Rules () override | |
void | add (SequenceRule *rule) |
int | getNumSubRules () const |
const Sort * | getSorter () const override |
int | compare (const Edge *o1, const Edge *o2) const override |
int | getComparision (const Edge *a, const Edge *b, bool deep) const override |
Public Member Functions inherited from RDKit::CIPLabeler::SequenceRule | |
SequenceRule () | |
virtual | ~SequenceRule () |
Descriptor | getBondLabel (const Edge *edge) const |
int | getComparision (const Edge *a, const Edge *b) const |
int | recursiveCompare (const Edge *a, const Edge *b) const |
void | setSorter (const Sort *sorter) |
Priority | sort (const Node *node, std::vector< Edge * > &edges, bool deep) const |
Priority | sort (const Node *node, std::vector< Edge * > &edges) const |
Additional Inherited Members | |
Protected Attributes inherited from RDKit::CIPLabeler::SequenceRule | |
std::unique_ptr< const Sort > | dp_sorter = nullptr |
|
delete |
|
inline |
Definition at line 26 of file Rules.h.
References add(), and RDKit::rdvalue_is().
|
inlineoverride |
Definition at line 32 of file Rules.h.
References RDKit::rdvalue_is().
|
inline |
|
inlineoverridevirtual |
Implements RDKit::CIPLabeler::SequenceRule.
Definition at line 55 of file Rules.h.
References RDKit::rdvalue_is().
|
inlineoverridevirtual |
Reimplemented from RDKit::CIPLabeler::SequenceRule.
Definition at line 68 of file Rules.h.
References RDKit::rdvalue_is().
|
inline |
Reimplemented from RDKit::CIPLabeler::SequenceRule.
Definition at line 48 of file Rules.h.
References RDKit::CIPLabeler::SequenceRule::dp_sorter, and RDKit::CIPLabeler::SequenceRule::setSorter().