RDKit
Open-source cheminformatics and machine learning.
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RDKit::QueryBond Member List
This is the complete list of members for
RDKit::QueryBond
, including all inherited members.
AROMATIC
enum value
RDKit::Bond
BEGINDASH
enum value
RDKit::Bond
BEGINWEDGE
enum value
RDKit::Bond
Bond
()
RDKit::Bond
Bond
(BondType bT)
RDKit::Bond
explicit
Bond
(const Bond &other)
RDKit::Bond
Bond
(Bond &&o) noexcept
RDKit::Bond
inline
BondDir
enum name
RDKit::Bond
BondStereo
enum name
RDKit::Bond
BondType
enum name
RDKit::Bond
clear
()
RDKit::RDProps
inline
clearComputedProps
() const
RDKit::RDProps
inline
clearProp
(const std::string &key) const
RDKit::RDProps
inline
copy
() const override
RDKit::QueryBond
virtual
d_beginAtomIdx
RDKit::Bond
protected
d_bondType
RDKit::Bond
protected
d_dirTag
RDKit::Bond
protected
d_endAtomIdx
RDKit::Bond
protected
d_index
RDKit::Bond
protected
d_props
RDKit::RDProps
mutable
protected
d_stereo
RDKit::Bond
protected
DATIVE
enum value
RDKit::Bond
DATIVEL
enum value
RDKit::Bond
DATIVEONE
enum value
RDKit::Bond
DATIVER
enum value
RDKit::Bond
df_isAromatic
RDKit::Bond
protected
df_isConjugated
RDKit::Bond
protected
DOUBLE
enum value
RDKit::Bond
dp_mol
RDKit::Bond
protected
dp_query
RDKit::QueryBond
protected
dp_stereoAtoms
RDKit::Bond
protected
EITHERDOUBLE
enum value
RDKit::Bond
ENDDOWNRIGHT
enum value
RDKit::Bond
ENDUPRIGHT
enum value
RDKit::Bond
expandQuery
(QUERYBOND_QUERY *what, Queries::CompositeQueryType how=Queries::COMPOSITE_AND, bool maintainOrder=true) override
RDKit::QueryBond
virtual
FIVEANDAHALF
enum value
RDKit::Bond
FOURANDAHALF
enum value
RDKit::Bond
getBeginAtom
() const
RDKit::Bond
getBeginAtomIdx
() const
RDKit::Bond
inline
getBondDir
() const
RDKit::Bond
inline
getBondType
() const
RDKit::Bond
inline
getBondTypeAsDouble
() const
RDKit::Bond
getDict
() const
RDKit::RDProps
inline
getDict
()
RDKit::RDProps
inline
getEndAtom
() const
RDKit::Bond
getEndAtomIdx
() const
RDKit::Bond
inline
getIdx
() const
RDKit::Bond
inline
getIsAromatic
() const
RDKit::Bond
inline
getIsConjugated
() const
RDKit::Bond
inline
getOtherAtom
(Atom const *what) const
RDKit::Bond
getOtherAtomIdx
(unsigned int thisIdx) const
RDKit::Bond
getOwningMol
() const
RDKit::Bond
inline
getProp
(const std::string &key, T &res) const
RDKit::RDProps
inline
getProp
(const std::string &key) const
RDKit::RDProps
inline
getPropIfPresent
(const std::string &key, T &res) const
RDKit::RDProps
inline
getPropList
(bool includePrivate=true, bool includeComputed=true) const
RDKit::RDProps
inline
getQuery
() const override
RDKit::QueryBond
inline
virtual
getStereo
() const
RDKit::Bond
inline
getStereoAtoms
() const
RDKit::Bond
inline
getStereoAtoms
()
RDKit::Bond
inline
getValenceContrib
(const Atom *at) const override
RDKit::QueryBond
virtual
hasOwningMol
() const
RDKit::Bond
inline
hasProp
(const std::string &key) const
RDKit::RDProps
inline
hasQuery
() const override
RDKit::QueryBond
inline
virtual
HEXTUPLE
enum value
RDKit::Bond
HYDROGEN
enum value
RDKit::Bond
initBond
()
RDKit::Bond
protected
invertChirality
()
RDKit::Bond
IONIC
enum value
RDKit::Bond
Match
(Bond const *what) const override
RDKit::QueryBond
virtual
NONE
enum value
RDKit::Bond
ONEANDAHALF
enum value
RDKit::Bond
operator=
(QueryBond &&other) noexcept
RDKit::QueryBond
inline
operator=
(const QueryBond &other)
RDKit::QueryBond
RDKit::Bond::operator=
(const Bond &other)
RDKit::Bond
RDKit::Bond::operator=
(Bond &&o) noexcept
RDKit::Bond
inline
RDKit::RDProps::operator=
(const RDProps &rhs)
RDKit::RDProps
inline
RDKit::RDProps::operator=
(RDProps &&rhs) noexcept=default
RDKit::RDProps
OTHER
enum value
RDKit::Bond
QUADRUPLE
enum value
RDKit::Bond
QueryBond
()
RDKit::QueryBond
inline
QueryBond
(BondType bT)
RDKit::QueryBond
explicit
QueryBond
(const Bond &other)
RDKit::QueryBond
inline
explicit
QueryBond
(const QueryBond &other)
RDKit::QueryBond
inline
QueryBond
(QueryBond &&other) noexcept
RDKit::QueryBond
inline
QUERYBOND_QUERY
typedef
RDKit::QueryBond
QueryMatch
(QueryBond const *what) const
RDKit::QueryBond
QUINTUPLE
enum value
RDKit::Bond
RDProps
()
RDKit::RDProps
inline
RDProps
(const RDProps &rhs)
RDKit::RDProps
inline
RDProps
(RDProps &&o) noexcept=default
RDKit::RDProps
setBeginAtom
(Atom *at)
RDKit::Bond
setBeginAtomIdx
(unsigned int what)
RDKit::Bond
setBondDir
(BondDir bD)
RDKit::QueryBond
setBondType
(BondType bT)
RDKit::QueryBond
setEndAtom
(Atom *at)
RDKit::Bond
setEndAtomIdx
(unsigned int what)
RDKit::Bond
setIdx
(unsigned int index)
RDKit::Bond
inline
setIsAromatic
(bool what)
RDKit::Bond
inline
setIsConjugated
(bool what)
RDKit::Bond
inline
setOwningMol
(ROMol *other)
RDKit::Bond
setOwningMol
(ROMol &other)
RDKit::Bond
inline
setProp
(const std::string &key, T val, bool computed=false) const
RDKit::RDProps
inline
setQuery
(QUERYBOND_QUERY *what) override
RDKit::QueryBond
inline
virtual
setStereo
(BondStereo what)
RDKit::Bond
inline
setStereoAtoms
(unsigned int bgnIdx, unsigned int endIdx)
RDKit::Bond
SINGLE
enum value
RDKit::Bond
STEREOANY
enum value
RDKit::Bond
STEREOATROPCCW
enum value
RDKit::Bond
STEREOATROPCW
enum value
RDKit::Bond
STEREOCIS
enum value
RDKit::Bond
STEREOE
enum value
RDKit::Bond
STEREONONE
enum value
RDKit::Bond
STEREOTRANS
enum value
RDKit::Bond
STEREOZ
enum value
RDKit::Bond
THREEANDAHALF
enum value
RDKit::Bond
THREECENTER
enum value
RDKit::Bond
TRIPLE
enum value
RDKit::Bond
TWOANDAHALF
enum value
RDKit::Bond
UNKNOWN
enum value
RDKit::Bond
UNSPECIFIED
enum value
RDKit::Bond
updatePropertyCache
(bool strict=true)
RDKit::Bond
inline
updateProps
(const RDProps &source, bool preserveExisting=false)
RDKit::RDProps
inline
ZERO
enum value
RDKit::Bond
~Bond
()
RDKit::Bond
virtual
~QueryBond
() override
RDKit::QueryBond
Generated on Sun Dec 22 2024 04:42:58 for RDKit by
1.9.8