#include <Configuration.h>
|
template<typename T > |
static int | parity4 (const std::vector< T > &trg, const std::vector< T > &ref) |
|
Definition at line 29 of file Configuration.h.
◆ Configuration() [1/3]
RDKit::CIPLabeler::Configuration::Configuration |
( |
| ) |
|
|
delete |
◆ Configuration() [2/3]
RDKit::CIPLabeler::Configuration::Configuration |
( |
const CIPMol & | mol, |
|
|
Atom * | focus ) |
◆ Configuration() [3/3]
RDKit::CIPLabeler::Configuration::Configuration |
( |
const CIPMol & | mol, |
|
|
std::vector< Atom * > && | foci, |
|
|
bool | atropisomerMode = false ) |
◆ ~Configuration()
virtual RDKit::CIPLabeler::Configuration::~Configuration |
( |
| ) |
|
|
virtual |
◆ findInternalEdge()
Edge * RDKit::CIPLabeler::Configuration::findInternalEdge |
( |
const std::vector< Edge * > & | edges, |
|
|
Atom * | f1, |
|
|
Atom * | f2 ) |
|
protected |
◆ getCarriers()
const std::vector< Atom * > & RDKit::CIPLabeler::Configuration::getCarriers |
( |
| ) |
const |
◆ getDigraph()
Digraph & RDKit::CIPLabeler::Configuration::getDigraph |
( |
| ) |
|
◆ getFoci()
const std::vector< Atom * > & RDKit::CIPLabeler::Configuration::getFoci |
( |
| ) |
const |
◆ getFocus()
Atom * RDKit::CIPLabeler::Configuration::getFocus |
( |
| ) |
const |
◆ isDuplicateOrHydrogenEdge()
bool RDKit::CIPLabeler::Configuration::isDuplicateOrHydrogenEdge |
( |
const Edge * | edge | ) |
|
|
protected |
◆ isInternalEdge()
bool RDKit::CIPLabeler::Configuration::isInternalEdge |
( |
const Edge * | edge, |
|
|
Atom * | f1, |
|
|
Atom * | f2 ) |
|
protected |
◆ label() [1/2]
virtual Descriptor RDKit::CIPLabeler::Configuration::label |
( |
const Rules & | comp | ) |
|
|
pure virtual |
◆ label() [2/2]
◆ parity4()
template<typename T >
static int RDKit::CIPLabeler::Configuration::parity4 |
( |
const std::vector< T > & | trg, |
|
|
const std::vector< T > & | ref ) |
|
inlinestatic |
◆ removeDuplicatesAndHs()
void RDKit::CIPLabeler::Configuration::removeDuplicatesAndHs |
( |
std::vector< Edge * > & | edges | ) |
|
|
protected |
◆ removeInternalEdges()
void RDKit::CIPLabeler::Configuration::removeInternalEdges |
( |
std::vector< Edge * > & | edges, |
|
|
Atom * | f1, |
|
|
Atom * | f2 ) |
|
protected |
◆ setCarriers()
void RDKit::CIPLabeler::Configuration::setCarriers |
( |
std::vector< Atom * > && | carriers | ) |
|
|
protected |
◆ setPrimaryLabel()
virtual void RDKit::CIPLabeler::Configuration::setPrimaryLabel |
( |
Descriptor | desc | ) |
|
|
pure virtual |
The documentation for this class was generated from the following file: