#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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delete |
◆ 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 |
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◆ 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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const |
◆ getAtomicMass()
double RDKit::CIPLabeler::Node::getAtomicMass |
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const |
◆ getAtomicNum()
int RDKit::CIPLabeler::Node::getAtomicNum |
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const |
◆ getAtomicNumFraction()
boost::rational< int > RDKit::CIPLabeler::Node::getAtomicNumFraction |
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const |
◆ getAux()
Descriptor RDKit::CIPLabeler::Node::getAux |
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const |
◆ getDigraph()
Digraph * RDKit::CIPLabeler::Node::getDigraph |
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const |
◆ getDistance()
int RDKit::CIPLabeler::Node::getDistance |
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const |
◆ getEdges() [1/2]
const std::vector< Edge * > & RDKit::CIPLabeler::Node::getEdges |
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const |
◆ getEdges() [2/2]
std::vector< Edge * > RDKit::CIPLabeler::Node::getEdges |
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Atom * |
end | ) |
const |
◆ getMassNum()
unsigned RDKit::CIPLabeler::Node::getMassNum |
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const |
◆ getNonTerminalOutEdges()
std::vector< Edge * > RDKit::CIPLabeler::Node::getNonTerminalOutEdges |
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const |
◆ isDuplicate()
bool RDKit::CIPLabeler::Node::isDuplicate |
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const |
◆ isExpanded()
bool RDKit::CIPLabeler::Node::isExpanded |
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const |
◆ isSet()
bool RDKit::CIPLabeler::Node::isSet |
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int |
mask | ) |
const |
◆ isTerminal()
bool RDKit::CIPLabeler::Node::isTerminal |
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const |
◆ isVisited()
bool RDKit::CIPLabeler::Node::isVisited |
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int |
idx | ) |
const |
◆ newBondDuplicateChild()
Node * RDKit::CIPLabeler::Node::newBondDuplicateChild |
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int |
idx, |
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Atom * |
atom |
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◆ newChild()
Node * RDKit::CIPLabeler::Node::newChild |
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int |
idx, |
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Atom * |
atom |
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◆ newImplicitHydrogenChild()
Node * RDKit::CIPLabeler::Node::newImplicitHydrogenChild |
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const |
◆ newRingDuplicateChild()
Node * RDKit::CIPLabeler::Node::newRingDuplicateChild |
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int |
idx, |
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Atom * |
atom |
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◆ operator=()
Node & RDKit::CIPLabeler::Node::operator= |
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const Node & |
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delete |
◆ 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
const int RDKit::CIPLabeler::Node::DUPLICATE = 0x6 |
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Mask to check if a node is duplicated.
Definition at line 49 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 55 of file Node.h.
◆ RING_DUPLICATE
const int RDKit::CIPLabeler::Node::RING_DUPLICATE = 0x2 |
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static |
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: