Package rdkit :: Package Chem :: Module rdchem :: Class Atom

class Atom

 object --+    
          |    
??.instance --+
              |
             Atom

Known Subclasses:

QueryAtom

The class to store Atoms.
Note that, though it is possible to create one, having an Atom on its own
(i.e not associated with a molecule) is not particularly useful.

Instance Methods

[hide private]

ClearProp(...)
ClearProp( (Atom)arg1, (str)arg2) -> None : Removes a particular property from an Atom (does nothing if not already set).

DescribeQuery(...)
DescribeQuery( (Atom)arg1) -> str : returns a text description of the query.

GetAtomicNum(...)
GetAtomicNum( (Atom)arg1) -> int : Returns the atomic number.

GetBonds(...)
GetBonds( (Atom)arg1) -> tuple : Returns a read-only sequence of the atom's bonds

GetBoolProp(...)
GetBoolProp( (Atom)arg1, (str)arg2) -> bool : Returns the value of the property.

GetChiralTag(...)
GetChiralTag( (Atom)arg1) -> ChiralType :

GetDegree(...)
GetDegree( (Atom)arg1) -> int : Returns the degree of the atom in the molecule.

GetDoubleProp(...)
GetDoubleProp( (Atom)arg1, (str)arg2) -> float : Returns the value of the property.

GetExplicitValence(...)
GetExplicitValence( (Atom)arg1) -> int : Returns the number of explicit Hs on the atom.

GetFormalCharge(...)
GetFormalCharge( (Atom)arg1) -> int :

GetHybridization(...)
GetHybridization( (Atom)arg1) -> HybridizationType : Returns the atom's hybridization.

GetIdx(...)
GetIdx( (Atom)arg1) -> int : Returns the atom's index (ordering in the molecule)

GetImplicitValence(...)
GetImplicitValence( (Atom)arg1) -> int : Returns the number of implicit Hs on the atom.

GetIntProp(...)
GetIntProp( (Atom)arg1, (str)arg2) -> int : Returns the value of the property.

GetIsAromatic(...)
GetIsAromatic( (Atom)arg1) -> bool :

GetIsotope(...)
GetIsotope( (Atom)arg1) -> int :

GetMass(...)
GetMass( (Atom)arg1) -> float :

GetMonomerInfo(...)
GetMonomerInfo( (Atom)arg1) -> AtomMonomerInfo : Returns the atom's MonomerInfo object, if there is one.

GetNeighbors(...)
GetNeighbors( (Atom)arg1) -> tuple : Returns a read-only sequence of the atom's neighbors

GetNoImplicit(...)
GetNoImplicit( (Atom)arg1) -> bool : Returns whether or not the atom is *allowed* to have implicit Hs.

GetNumExplicitHs(...)
GetNumExplicitHs( (Atom)arg1) -> int :

GetNumImplicitHs(...)
GetNumImplicitHs( (Atom)arg1) -> int : Returns the total number of implicit Hs on the atom.

GetNumRadicalElectrons(...)
GetNumRadicalElectrons( (Atom)arg1) -> int :

GetOwningMol(...)
GetOwningMol( (Atom)arg1) -> Mol : Returns the Mol that owns this atom.

GetPDBResidueInfo(...)
GetPDBResidueInfo( (Atom)arg1) -> AtomPDBResidueInfo : Returns the atom's MonomerInfo object, if there is one.

GetProp(...)
GetProp( (Atom)arg1, (str)arg2) -> str : Returns the value of the property.

GetPropNames(...)
GetPropNames( (Atom)self) -> _vectNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE : Returns a list of the properties set on the Atom.

GetPropsAsDict(...)
GetPropsAsDict( (Atom)self) -> dict : Returns a dictionary of the properties set on the Atom.

GetSmarts(...)
GetSmarts( (Atom)arg1) -> str : returns the SMARTS (or SMILES) string for an Atom

GetSymbol(...)
GetSymbol( (Atom)arg1) -> str : Returns the atomic symbol (a string)

GetTotalDegree(...)
GetTotalDegree( (Atom)arg1) -> int : Returns the degree of the atom in the molecule including Hs.

GetTotalNumHs(...)
GetTotalNumHs( (Atom)self [, (bool)includeNeighbors=False]) -> int : Returns the total number of Hs (explicit and implicit) on the atom.

GetTotalValence(...)
GetTotalValence( (Atom)arg1) -> int : Returns the total valence (explicit + implicit) of the atom.

GetUnsignedProp(...)
GetUnsignedProp( (Atom)arg1, (str)arg2) -> int : Returns the value of the property.

HasProp(...)
HasProp( (Atom)arg1, (str)arg2) -> int : Queries a Atom to see if a particular property has been assigned.

HasQuery(...)
HasQuery( (Atom)arg1) -> bool : Returns whether or not the atom has an associated query

InvertChirality(...)
InvertChirality( (Atom)arg1) -> None :

IsInRing(...)
IsInRing( (Atom)arg1) -> bool : Returns whether or not the atom is in a ring

IsInRingSize(...)
IsInRingSize( (Atom)arg1, (int)arg2) -> bool : Returns whether or not the atom is in a ring of a particular size.

Match(...)
Match( (Atom)arg1, (Atom)arg2) -> bool : Returns whether or not this atom matches another Atom.

NeedsUpdatePropertyCache(...)
NeedsUpdatePropertyCache( (Atom)self) -> bool : Returns true or false depending on whether implicit and explicit valence of the molecule have already been calculated.

SetAtomicNum(...)
SetAtomicNum( (Atom)arg1, (int)arg2) -> None : Sets the atomic number, takes an integer value as an argument

SetBoolProp(...)
SetBoolProp( (Atom)self, (str)key, (bool)val) -> None : Sets an atomic property

SetChiralTag(...)
SetChiralTag( (Atom)arg1, (ChiralType)arg2) -> None :

SetDoubleProp(...)
SetDoubleProp( (Atom)self, (str)key, (float)val) -> None : Sets an atomic property

SetFormalCharge(...)
SetFormalCharge( (Atom)arg1, (int)arg2) -> None :

SetHybridization(...)
SetHybridization( (Atom)arg1, (HybridizationType)arg2) -> None : Sets the hybridization of the atom.

SetIntProp(...)
SetIntProp( (Atom)self, (str)key, (int)val) -> None : Sets an atomic property

SetIsAromatic(...)
SetIsAromatic( (Atom)arg1, (bool)arg2) -> None :

SetIsotope(...)
SetIsotope( (Atom)arg1, (int)arg2) -> None :

SetMonomerInfo(...)
SetMonomerInfo( (Atom)arg1, (AtomMonomerInfo)arg2) -> None : Sets the atom's MonomerInfo object.

SetNoImplicit(...)
SetNoImplicit( (Atom)arg1, (bool)arg2) -> None : Sets a marker on the atom that *disallows* implicit Hs.

SetNumExplicitHs(...)
SetNumExplicitHs( (Atom)arg1, (int)arg2) -> None :

SetNumRadicalElectrons(...)
SetNumRadicalElectrons( (Atom)arg1, (int)arg2) -> None :

SetProp(...)
SetProp( (Atom)self, (str)key, (str)val) -> None : Sets an atomic property

SetUnsignedProp(...)
SetUnsignedProp( (Atom)self, (str)key, (int)val) -> None : Sets an atomic property

UpdatePropertyCache(...)
UpdatePropertyCache( (Atom)self [, (bool)strict=True]) -> None : Regenerates computed properties like implicit valence and ring information.

__init__(...)
__init__( (object)arg1, (str)arg2) -> None :

__reduce__(...)

Inherited from unreachable.instance: __new__

Class Variables

[hide private]

__instance_size__ = 64

Method Details

[hide private]

ClearProp(...)


ClearProp( (Atom)arg1, (str)arg2) -> None :
    Removes a particular property from an Atom (does nothing if not already set).
    
      ARGUMENTS:
        - key: the name of the property to be removed.
    

    C++ signature :
        void ClearProp(RDKit::Atom const*,char const*)

DescribeQuery(...)


DescribeQuery( (Atom)arg1) -> str :
    returns a text description of the query. Primarily intended for debugging purposes.
    
    

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > DescribeQuery(RDKit::Atom const*)

GetAtomicNum(...)


GetAtomicNum( (Atom)arg1) -> int :
    Returns the atomic number.

    C++ signature :
        int GetAtomicNum(RDKit::Atom {lvalue})

GetBonds(...)


GetBonds( (Atom)arg1) -> tuple :
    Returns a read-only sequence of the atom's bonds
    

    C++ signature :
        boost::python::tuple GetBonds(RDKit::Atom*)

GetBoolProp(...)


GetBoolProp( (Atom)arg1, (str)arg2) -> bool :
    Returns the value of the property.
    
      ARGUMENTS:
        - key: the name of the property to return (a bool).
    
      RETURNS: a bool
    
      NOTE:
        - If the property has not been set, a KeyError exception will be raised.
    

    C++ signature :
        bool GetBoolProp(RDKit::Atom*,char const*)

GetChiralTag(...)


GetChiralTag( (Atom)arg1) -> ChiralType :

    C++ signature :
        RDKit::Atom::ChiralType GetChiralTag(RDKit::Atom {lvalue})

GetDegree(...)


GetDegree( (Atom)arg1) -> int :
    Returns the degree of the atom in the molecule.
    
      The degree of an atom is defined to be its number of
      directly-bonded neighbors.
      The degree is independent of bond orders, but is dependent
        on whether or not Hs are explicit in the graph.
    

    C++ signature :
        unsigned int GetDegree(RDKit::Atom {lvalue})

GetDoubleProp(...)


GetDoubleProp( (Atom)arg1, (str)arg2) -> float :
    Returns the value of the property.
    
      ARGUMENTS:
        - key: the name of the property to return (a double).
    
      RETURNS: a double
    
      NOTE:
        - If the property has not been set, a KeyError exception will be raised.
    

    C++ signature :
        double GetDoubleProp(RDKit::Atom*,char const*)

GetExplicitValence(...)


GetExplicitValence( (Atom)arg1) -> int :
    Returns the number of explicit Hs on the atom.
    

    C++ signature :
        int GetExplicitValence(RDKit::Atom {lvalue})

GetFormalCharge(...)


GetFormalCharge( (Atom)arg1) -> int :

    C++ signature :
        int GetFormalCharge(RDKit::Atom {lvalue})

GetHybridization(...)


GetHybridization( (Atom)arg1) -> HybridizationType :
    Returns the atom's hybridization.
    

    C++ signature :
        RDKit::Atom::HybridizationType GetHybridization(RDKit::Atom {lvalue})

GetIdx(...)


GetIdx( (Atom)arg1) -> int :
    Returns the atom's index (ordering in the molecule)
    

    C++ signature :
        unsigned int GetIdx(RDKit::Atom {lvalue})

GetImplicitValence(...)


GetImplicitValence( (Atom)arg1) -> int :
    Returns the number of implicit Hs on the atom.
    

    C++ signature :
        int GetImplicitValence(RDKit::Atom {lvalue})

GetIntProp(...)


GetIntProp( (Atom)arg1, (str)arg2) -> int :
    Returns the value of the property.
    
      ARGUMENTS:
        - key: the name of the property to return (an int).
    
      RETURNS: an int
    
      NOTE:
        - If the property has not been set, a KeyError exception will be raised.
    

    C++ signature :
        int GetIntProp(RDKit::Atom*,char const*)

GetIsAromatic(...)


GetIsAromatic( (Atom)arg1) -> bool :

    C++ signature :
        bool GetIsAromatic(RDKit::Atom {lvalue})

GetIsotope(...)


GetIsotope( (Atom)arg1) -> int :

    C++ signature :
        unsigned int GetIsotope(RDKit::Atom {lvalue})

GetMass(...)


GetMass( (Atom)arg1) -> float :

    C++ signature :
        double GetMass(RDKit::Atom {lvalue})

GetMonomerInfo(...)


GetMonomerInfo( (Atom)arg1) -> AtomMonomerInfo :
    Returns the atom's MonomerInfo object, if there is one.
    
    

    C++ signature :
        RDKit::AtomMonomerInfo* GetMonomerInfo(RDKit::Atom*)

GetNeighbors(...)


GetNeighbors( (Atom)arg1) -> tuple :
    Returns a read-only sequence of the atom's neighbors
    

    C++ signature :
        boost::python::tuple GetNeighbors(RDKit::Atom*)

GetNoImplicit(...)


GetNoImplicit( (Atom)arg1) -> bool :
    Returns whether or not the atom is *allowed* to have implicit Hs.
    

    C++ signature :
        bool GetNoImplicit(RDKit::Atom {lvalue})

GetNumExplicitHs(...)


GetNumExplicitHs( (Atom)arg1) -> int :

    C++ signature :
        unsigned int GetNumExplicitHs(RDKit::Atom {lvalue})

GetNumImplicitHs(...)


GetNumImplicitHs( (Atom)arg1) -> int :
    Returns the total number of implicit Hs on the atom.
    

    C++ signature :
        unsigned int GetNumImplicitHs(RDKit::Atom {lvalue})

GetNumRadicalElectrons(...)


GetNumRadicalElectrons( (Atom)arg1) -> int :

    C++ signature :
        unsigned int GetNumRadicalElectrons(RDKit::Atom {lvalue})

GetOwningMol(...)


GetOwningMol( (Atom)arg1) -> Mol :
    Returns the Mol that owns this atom.
    

    C++ signature :
        RDKit::ROMol {lvalue} GetOwningMol(RDKit::Atom {lvalue})

GetPDBResidueInfo(...)


GetPDBResidueInfo( (Atom)arg1) -> AtomPDBResidueInfo :
    Returns the atom's MonomerInfo object, if there is one.
    
    

    C++ signature :
        RDKit::AtomPDBResidueInfo* GetPDBResidueInfo(RDKit::Atom*)

GetProp(...)


GetProp( (Atom)arg1, (str)arg2) -> str :
    Returns the value of the property.
    
      ARGUMENTS:
        - key: the name of the property to return (a string).
    
      RETURNS: a string
    
      NOTE:
        - If the property has not been set, a KeyError exception will be raised.
    

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetProp(RDKit::Atom*,char const*)

GetPropNames(...)


GetPropNames( (Atom)self) -> _vectNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE :
    Returns a list of the properties set on the Atom.
    
    

    C++ signature :
        std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > GetPropNames(RDKit::Atom {lvalue})

GetPropsAsDict(...)


GetPropsAsDict( (Atom)self) -> dict :
    Returns a dictionary of the properties set on the Atom.
     n.b. some properties cannot be converted to python types.
    

    C++ signature :
        boost::python::dict GetPropsAsDict(RDKit::Atom)

GetSmarts(...)


GetSmarts( (Atom)arg1) -> str :
    returns the SMARTS (or SMILES) string for an Atom
    
    

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetSmarts(RDKit::Atom const*)

GetSymbol(...)


GetSymbol( (Atom)arg1) -> str :
    Returns the atomic symbol (a string)
    

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetSymbol(RDKit::Atom {lvalue})

GetTotalDegree(...)


GetTotalDegree( (Atom)arg1) -> int :
    Returns the degree of the atom in the molecule including Hs.
    
      The degree of an atom is defined to be its number of
      directly-bonded neighbors.
      The degree is independent of bond orders.
    

    C++ signature :
        unsigned int GetTotalDegree(RDKit::Atom {lvalue})

GetTotalNumHs(...)


GetTotalNumHs( (Atom)self [, (bool)includeNeighbors=False]) -> int :
    Returns the total number of Hs (explicit and implicit) on the atom.
    
      ARGUMENTS:
    
        - includeNeighbors: (optional) toggles inclusion of neighboring H atoms in the sum.
          Defaults to 0.
    

    C++ signature :
        unsigned int GetTotalNumHs(RDKit::Atom {lvalue} [,bool=False])

GetTotalValence(...)


GetTotalValence( (Atom)arg1) -> int :
    Returns the total valence (explicit + implicit) of the atom.
    
    

    C++ signature :
        unsigned int GetTotalValence(RDKit::Atom {lvalue})

GetUnsignedProp(...)


GetUnsignedProp( (Atom)arg1, (str)arg2) -> int :
    Returns the value of the property.
    
      ARGUMENTS:
        - key: the name of the property to return (an unsigned integer).
    
      RETURNS: an integer (Python has no unsigned type)
    
      NOTE:
        - If the property has not been set, a KeyError exception will be raised.
    

    C++ signature :
        unsigned int GetUnsignedProp(RDKit::Atom*,char const*)

HasProp(...)


HasProp( (Atom)arg1, (str)arg2) -> int :
    Queries a Atom to see if a particular property has been assigned.
    
      ARGUMENTS:
        - key: the name of the property to check for (a string).
    

    C++ signature :
        int HasProp(RDKit::Atom const*,char const*)

HasQuery(...)


HasQuery( (Atom)arg1) -> bool :
    Returns whether or not the atom has an associated query
    
    

    C++ signature :
        bool HasQuery(RDKit::Atom {lvalue})

InvertChirality(...)


InvertChirality( (Atom)arg1) -> None :

    C++ signature :
        void InvertChirality(RDKit::Atom {lvalue})

IsInRing(...)


IsInRing( (Atom)arg1) -> bool :
    Returns whether or not the atom is in a ring
    
    

    C++ signature :
        bool IsInRing(RDKit::Atom const*)

IsInRingSize(...)


IsInRingSize( (Atom)arg1, (int)arg2) -> bool :
    Returns whether or not the atom is in a ring of a particular size.
    
      ARGUMENTS:
        - size: the ring size to look for
    

    C++ signature :
        bool IsInRingSize(RDKit::Atom const*,int)

Match(...)


Match( (Atom)arg1, (Atom)arg2) -> bool :
    Returns whether or not this atom matches another Atom.
    
      Each Atom (or query Atom) has a query function which is
      used for this type of matching.
    
      ARGUMENTS:
        - other: the other Atom to which to compare
    

    C++ signature :
        bool Match(RDKit::Atom {lvalue},RDKit::Atom const*)

NeedsUpdatePropertyCache(...)


NeedsUpdatePropertyCache( (Atom)self) -> bool :
    Returns true or false depending on whether implicit and explicit valence of the molecule have already been calculated.
    
    

    C++ signature :
        bool NeedsUpdatePropertyCache(RDKit::Atom {lvalue})

SetAtomicNum(...)


SetAtomicNum( (Atom)arg1, (int)arg2) -> None :
    Sets the atomic number, takes an integer value as an argument

    C++ signature :
        void SetAtomicNum(RDKit::Atom {lvalue},int)

SetBoolProp(...)


SetBoolProp( (Atom)self, (str)key, (bool)val) -> None :
    Sets an atomic property
    
      ARGUMENTS:
        - key: the name of the property to be set (a bool).
        - value: the property value (a bool).
    
    

    C++ signature :
        void SetBoolProp(RDKit::Atom const*,char const*,bool)

SetChiralTag(...)


SetChiralTag( (Atom)arg1, (ChiralType)arg2) -> None :

    C++ signature :
        void SetChiralTag(RDKit::Atom {lvalue},RDKit::Atom::ChiralType)

SetDoubleProp(...)


SetDoubleProp( (Atom)self, (str)key, (float)val) -> None :
    Sets an atomic property
    
      ARGUMENTS:
        - key: the name of the property to be set (a double).
        - value: the property value (a double).
    
    

    C++ signature :
        void SetDoubleProp(RDKit::Atom const*,char const*,double)

SetFormalCharge(...)


SetFormalCharge( (Atom)arg1, (int)arg2) -> None :

    C++ signature :
        void SetFormalCharge(RDKit::Atom {lvalue},int)

SetHybridization(...)


SetHybridization( (Atom)arg1, (HybridizationType)arg2) -> None :
    Sets the hybridization of the atom.
      The argument should be a HybridizationType
    

    C++ signature :
        void SetHybridization(RDKit::Atom {lvalue},RDKit::Atom::HybridizationType)

SetIntProp(...)


SetIntProp( (Atom)self, (str)key, (int)val) -> None :
    Sets an atomic property
    
      ARGUMENTS:
        - key: the name of the property to be set (a int).
        - value: the property value (a int).
    
    

    C++ signature :
        void SetIntProp(RDKit::Atom const*,char const*,int)

SetIsAromatic(...)


SetIsAromatic( (Atom)arg1, (bool)arg2) -> None :

    C++ signature :
        void SetIsAromatic(RDKit::Atom {lvalue},bool)

SetIsotope(...)


SetIsotope( (Atom)arg1, (int)arg2) -> None :

    C++ signature :
        void SetIsotope(RDKit::Atom {lvalue},unsigned int)

SetMonomerInfo(...)


SetMonomerInfo( (Atom)arg1, (AtomMonomerInfo)arg2) -> None :
    Sets the atom's MonomerInfo object.
    
    

    C++ signature :
        void SetMonomerInfo(RDKit::Atom*,RDKit::AtomMonomerInfo const*)

SetNoImplicit(...)


SetNoImplicit( (Atom)arg1, (bool)arg2) -> None :
    Sets a marker on the atom that *disallows* implicit Hs.
      This holds even if the atom would otherwise have implicit Hs added.
    

    C++ signature :
        void SetNoImplicit(RDKit::Atom {lvalue},bool)

SetNumExplicitHs(...)


SetNumExplicitHs( (Atom)arg1, (int)arg2) -> None :

    C++ signature :
        void SetNumExplicitHs(RDKit::Atom {lvalue},unsigned int)

SetNumRadicalElectrons(...)


SetNumRadicalElectrons( (Atom)arg1, (int)arg2) -> None :

    C++ signature :
        void SetNumRadicalElectrons(RDKit::Atom {lvalue},unsigned int)

SetProp(...)


SetProp( (Atom)self, (str)key, (str)val) -> None :
    Sets an atomic property
    
      ARGUMENTS:
        - key: the name of the property to be set (a string).
        - value: the property value (a string).
    
    

    C++ signature :
        void SetProp(RDKit::Atom const*,char const*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

SetUnsignedProp(...)


SetUnsignedProp( (Atom)self, (str)key, (int)val) -> None :
    Sets an atomic property
    
      ARGUMENTS:
        - key: the name of the property to be set (an unsigned integer).
        - value: the property value (a int >= 0).
    
    

    C++ signature :
        void SetUnsignedProp(RDKit::Atom const*,char const*,unsigned int)

UpdatePropertyCache(...)


UpdatePropertyCache( (Atom)self [, (bool)strict=True]) -> None :
    Regenerates computed properties like implicit valence and ring information.
    
    

    C++ signature :
        void UpdatePropertyCache(RDKit::Atom {lvalue} [,bool=True])

init(...)
(Constructor)


__init__( (object)arg1, (str)arg2) -> None :

    C++ signature :
        void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

__init__( (object)arg1, (int)arg2) -> None :
    Constructor, takes either an int (atomic number) or a string (atomic symbol).
    

    C++ signature :
        void __init__(_object*,unsigned int)

Overrides: object.__init__

reduce(...)

Overrides: object.__reduce__: (inherited documentation)

class Atom

ClearProp(...)

DescribeQuery(...)

GetAtomicNum(...)

GetBonds(...)

GetBoolProp(...)

GetChiralTag(...)

GetDegree(...)

GetDoubleProp(...)

GetExplicitValence(...)

GetFormalCharge(...)

GetHybridization(...)

GetIdx(...)

GetImplicitValence(...)

GetIntProp(...)

GetIsAromatic(...)

GetIsotope(...)

GetMass(...)

GetMonomerInfo(...)

GetNeighbors(...)

GetNoImplicit(...)

GetNumExplicitHs(...)

GetNumImplicitHs(...)

GetNumRadicalElectrons(...)

GetOwningMol(...)

GetPDBResidueInfo(...)

GetProp(...)

GetPropNames(...)

GetPropsAsDict(...)

GetSmarts(...)

GetSymbol(...)

GetTotalDegree(...)

GetTotalNumHs(...)

GetTotalValence(...)

GetUnsignedProp(...)

HasProp(...)

HasQuery(...)

InvertChirality(...)

IsInRing(...)

IsInRingSize(...)

Match(...)

NeedsUpdatePropertyCache(...)

SetAtomicNum(...)

SetBoolProp(...)

SetChiralTag(...)

SetDoubleProp(...)

SetFormalCharge(...)

SetHybridization(...)

SetIntProp(...)

SetIsAromatic(...)

SetIsotope(...)

SetMonomerInfo(...)

SetNoImplicit(...)

SetNumExplicitHs(...)

SetNumRadicalElectrons(...)

SetProp(...)

SetUnsignedProp(...)

UpdatePropertyCache(...)

__init__(...) (Constructor)

__reduce__(...)

init(...)
(Constructor)

reduce(...)