#include <MarvinDefs.h>
Definition at line 110 of file MarvinDefs.h.
◆ MarvinAtom() [1/2]
RDKit::MarvinAtom::MarvinAtom |
( |
| ) |
|
◆ MarvinAtom() [2/2]
RDKit::MarvinAtom::MarvinAtom |
( |
const MarvinAtom & | atomToCopy, |
|
|
std::string | newId ) |
◆ isElement()
bool RDKit::MarvinAtom::isElement |
( |
| ) |
const |
◆ operator==() [1/2]
bool RDKit::MarvinAtom::operator== |
( |
const MarvinAtom & | rhs | ) |
const |
◆ operator==() [2/2]
bool RDKit::MarvinAtom::operator== |
( |
const MarvinAtom * | rhs | ) |
const |
◆ toPtree()
ptree RDKit::MarvinAtom::toPtree |
( |
unsigned int | coordinatePrecision = 6 | ) |
const |
◆ toString()
std::string RDKit::MarvinAtom::toString |
( |
| ) |
const |
◆ elementType
std::string RDKit::MarvinAtom::elementType |
◆ formalCharge
int RDKit::MarvinAtom::formalCharge |
◆ hydrogenCount
int RDKit::MarvinAtom::hydrogenCount |
◆ id
std::string RDKit::MarvinAtom::id |
◆ isotope
int RDKit::MarvinAtom::isotope |
◆ mrvAlias
std::string RDKit::MarvinAtom::mrvAlias |
◆ mrvMap
int RDKit::MarvinAtom::mrvMap |
◆ mrvStereoGroup
std::string RDKit::MarvinAtom::mrvStereoGroup |
◆ mrvValence
int RDKit::MarvinAtom::mrvValence |
◆ radical
std::string RDKit::MarvinAtom::radical |
◆ rgroupRef
int RDKit::MarvinAtom::rgroupRef |
◆ sgroupAttachmentPoint
std::string RDKit::MarvinAtom::sgroupAttachmentPoint |
◆ sgroupRef
std::string RDKit::MarvinAtom::sgroupRef |
◆ sGroupRefIsSuperatom
bool RDKit::MarvinAtom::sGroupRefIsSuperatom |
◆ x2
double RDKit::MarvinAtom::x2 |
◆ x3
double RDKit::MarvinAtom::x3 |
◆ y2
double RDKit::MarvinAtom::y2 |
◆ y3
double RDKit::MarvinAtom::y3 |
◆ z3
double RDKit::MarvinAtom::z3 |
The documentation for this class was generated from the following file: