RDKit
Open-source cheminformatics and machine learning.
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#include <Node.h>
Static Public Attributes | |
static const int | EXPANDED = 0x1 |
static const int | RING_DUPLICATE = 0x2 |
static const int | BOND_DUPLICATE = 0x4 |
static const int | DUPLICATE = RING_DUPLICATE | BOND_DUPLICATE |
static const int | IMPL_HYDROGEN = 0x8 |
static const int | DUPLICATE_OR_H |
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delete |
RDKit::CIPLabeler::Node::Node | ( | Digraph * | g, |
std::vector< char > && | visit, | ||
Atom * | atom, | ||
boost::rational< int > && | frac, | ||
int | dist, | ||
int | flags | ||
) |
Atom * RDKit::CIPLabeler::Node::getAtom | ( | ) | const |
double RDKit::CIPLabeler::Node::getAtomicMass | ( | ) | const |
int RDKit::CIPLabeler::Node::getAtomicNum | ( | ) | const |
boost::rational< int > RDKit::CIPLabeler::Node::getAtomicNumFraction | ( | ) | const |
Descriptor RDKit::CIPLabeler::Node::getAux | ( | ) | const |
Digraph * RDKit::CIPLabeler::Node::getDigraph | ( | ) | const |
int RDKit::CIPLabeler::Node::getDistance | ( | ) | const |
unsigned RDKit::CIPLabeler::Node::getMassNum | ( | ) | const |
std::vector< Edge * > RDKit::CIPLabeler::Node::getNonTerminalOutEdges | ( | ) | const |
bool RDKit::CIPLabeler::Node::isDuplicate | ( | ) | const |
bool RDKit::CIPLabeler::Node::isDuplicateOrH | ( | ) | const |
bool RDKit::CIPLabeler::Node::isExpanded | ( | ) | const |
bool RDKit::CIPLabeler::Node::isTerminal | ( | ) | const |
Node * RDKit::CIPLabeler::Node::newImplicitHydrogenChild | ( | ) | const |
void RDKit::CIPLabeler::Node::setAux | ( | Descriptor | desc | ) |
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static |
Mask to check if a node is duplicated or created for an implicit H (not a primary node).