Class Atom

Returns the atomic number.
C++ signature:
    GetAtomicNum(RDKit::Atom {lvalue}) -> int

Returns a read-only sequence of the atom's bonds

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

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

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.

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

C++ signature:
    GetExplicitValence(RDKit::Atom {lvalue}, bool forceCalc) -> int

Returns the number of explicit Hs on the atom.

  ARGUMENTS:

    - forceCalc: (optional) forces the value to be calculated, even if already cached.
      Defaults to 0.

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

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

Returns the atom's hybridization.

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

Returns the atom's index (ordering in the molecule)

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

C++ signature:
    GetImplicitValence(RDKit::Atom {lvalue}, bool forceCalc) -> int

Returns the number of implicit Hs on the atom.

  ARGUMENTS:

    - forceCalc: (optional) forces the value to be calculated, even if already cached.
      Defaults to 0.

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

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

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

Returns a read-only sequence of the atom's neighbors

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

Returns whether or not the atom is *allowed* to have implicit Hs.

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

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

Returns the total number of implicit Hs on the atom.

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

Returns the Mol that owns this atom.

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

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:
    GetProp(RDKit::Atom const*, char const*) -> std::string

returns the SMARTS (or SMILES) string for an Atom


C++ signature:
    GetSmarts(RDKit::Atom const*) -> std::string

Returns the atomic number (a string)

C++ signature:
    GetSymbol(RDKit::Atom {lvalue}) -> std::string

C++ signature:
    GetTotalNumHs(RDKit::Atom {lvalue}, bool includeNeighbors) -> unsigned 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:
    GetTotalNumHs(RDKit::Atom {lvalue}) -> unsigned 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:
    HasProp(RDKit::Atom const*, char const*) -> int

Returns whether or not the atom has an associated query


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

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

Returns whether or not the atom is in a ring


C++ signature:
    IsInRing(RDKit::Atom const*) -> 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:
    IsInRingSize(RDKit::Atom const*, int) -> 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:
    Match(RDKit::Atom {lvalue}, RDKit::Atom const*) -> bool

Sets the atomic number, takes an integer value as an argument
C++ signature:
    SetAtomicNum(RDKit::Atom {lvalue}, int) -> void*

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

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

Sets the hybridization of the atom.
  The argument should be a HybridizationType

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

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

C++ signature:
SetMass(RDKit::Atom {lvalue}, double) -> void*

Sets a marker on the atom that *disallows* implicit Hs.
  This holds even if the atom would otherwise have implicit Hs added.

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

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

Sets an atomic property

  ARGUMENTS:
    - key: the name of the property to be set (a string).
    - value: the property value (a string).


C++ signature:
    SetProp(RDKit::Atom const* self, char const* key, std::string val) -> void*

C++ signature:
    __init__(_object*, std::string) -> void*

Constructor, takes either an int (atomic number) or a string (atomic symbol).

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

Overrides: object.__init__