#include <Node.h>
Definition at line 27 of file Node.h.
◆ Node() [1/3]
RDKit::CIPLabeler::Node::Node |
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◆ Node() [2/3]
RDKit::CIPLabeler::Node::Node |
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const Node & | | ) |
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◆ Node() [3/3]
RDKit::CIPLabeler::Node::Node |
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Digraph * | g, |
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std::vector< char > && | visit, |
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Atom * | atom, |
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boost::rational< int > && | frac, |
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int | dist, |
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int | flags ) |
◆ add()
void RDKit::CIPLabeler::Node::add |
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Edge * | e | ) |
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◆ getAtom()
Atom * RDKit::CIPLabeler::Node::getAtom |
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◆ getAtomicMass()
double RDKit::CIPLabeler::Node::getAtomicMass |
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◆ getAtomicNum()
int RDKit::CIPLabeler::Node::getAtomicNum |
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◆ getAtomicNumFraction()
boost::rational< int > RDKit::CIPLabeler::Node::getAtomicNumFraction |
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◆ getAux()
Descriptor RDKit::CIPLabeler::Node::getAux |
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◆ getDigraph()
Digraph * RDKit::CIPLabeler::Node::getDigraph |
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◆ getDistance()
int RDKit::CIPLabeler::Node::getDistance |
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◆ getEdges() [1/2]
const std::vector< Edge * > & RDKit::CIPLabeler::Node::getEdges |
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◆ getEdges() [2/2]
std::vector< Edge * > RDKit::CIPLabeler::Node::getEdges |
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Atom * | end | ) |
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◆ getMassNum()
unsigned RDKit::CIPLabeler::Node::getMassNum |
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◆ getNonTerminalOutEdges()
std::vector< Edge * > RDKit::CIPLabeler::Node::getNonTerminalOutEdges |
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◆ isDuplicate()
bool RDKit::CIPLabeler::Node::isDuplicate |
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◆ isDuplicateOrH()
bool RDKit::CIPLabeler::Node::isDuplicateOrH |
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◆ isExpanded()
bool RDKit::CIPLabeler::Node::isExpanded |
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◆ isSet()
bool RDKit::CIPLabeler::Node::isSet |
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int | mask | ) |
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◆ isTerminal()
bool RDKit::CIPLabeler::Node::isTerminal |
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◆ isVisited()
bool RDKit::CIPLabeler::Node::isVisited |
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int | idx | ) |
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◆ newBondDuplicateChild()
Node * RDKit::CIPLabeler::Node::newBondDuplicateChild |
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int | idx, |
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Atom * | atom ) const |
◆ newChild()
Node * RDKit::CIPLabeler::Node::newChild |
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int | idx, |
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Atom * | atom ) const |
◆ newImplicitHydrogenChild()
Node * RDKit::CIPLabeler::Node::newImplicitHydrogenChild |
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◆ newRingDuplicateChild()
Node * RDKit::CIPLabeler::Node::newRingDuplicateChild |
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int | idx, |
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Atom * | atom ) const |
◆ operator=()
Node & RDKit::CIPLabeler::Node::operator= |
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const Node & | | ) |
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◆ setAux()
void RDKit::CIPLabeler::Node::setAux |
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Descriptor | desc | ) |
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◆ BOND_DUPLICATE
const int RDKit::CIPLabeler::Node::BOND_DUPLICATE = 0x4 |
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Flag indicates whether the node was duplicated at a bond with order > 1.
Definition at line 44 of file Node.h.
◆ DUPLICATE
Mask to check if a node is duplicated.
Definition at line 50 of file Node.h.
◆ DUPLICATE_OR_H
const int RDKit::CIPLabeler::Node::DUPLICATE_OR_H |
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Initial value:=
static const int BOND_DUPLICATE
static const int RING_DUPLICATE
static const int IMPL_HYDROGEN
Mask to check if a node is duplicated or created for an implicit H (not a primary node).
Definition at line 62 of file Node.h.
◆ EXPANDED
const int RDKit::CIPLabeler::Node::EXPANDED = 0x1 |
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Flag indicates whether the node has been expanded.
Definition at line 32 of file Node.h.
◆ IMPL_HYDROGEN
const int RDKit::CIPLabeler::Node::IMPL_HYDROGEN = 0x8 |
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Node was created for an implicit hydrogen, the 'atom' value will be null.
Definition at line 56 of file Node.h.
◆ RING_DUPLICATE
const int RDKit::CIPLabeler::Node::RING_DUPLICATE = 0x2 |
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Flag indicates whether the node was duplicated at a ring closure.
Definition at line 38 of file Node.h.
The documentation for this class was generated from the following file: