rdkit.Chem.rdchem.PeriodicTable

Package rdkit :: Package Chem :: Module rdchem :: Class PeriodicTable |
[hide private]
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# Class PeriodicTable

     object --+
              |
    ??.instance --+
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                 PeriodicTable

    A class which stores information from the Periodic Table.

    It is not possible to create a PeriodicTable object directly from Python,
    use GetPeriodicTable() to get the global table.

    The PeriodicTable object can be queried for a variety of properties:

      - GetAtomicWeight

      - GetAtomicNumber

      - GetElementSymbol

      - GetRvdw (van der Waals radius)

      - GetRCovalent (covalent radius)

      - GetDefaultValence

      - GetValenceList

      - GetNOuterElecs (number of valence electrons)

    When it makes sense, these can be queried using either an atomic number (integer)
    or an atomic symbol (string)

Instance Methods | [hide private]
GetAtomicNumber(...) GetAtomicNumber( (PeriodicTable)arg1, (str)arg2) -> int : |
GetAtomicWeight(...) GetAtomicWeight( (PeriodicTable)arg1, (int)arg2) -> float : |
GetDefaultValence(...) GetDefaultValence( (PeriodicTable)arg1, (int)arg2) -> int : |
GetElementSymbol(...) GetElementSymbol( (PeriodicTable)arg1, (int)arg2) -> str : |
GetNOuterElecs(...) GetNOuterElecs( (PeriodicTable)arg1, (int)arg2) -> int : |
GetRcovalent(...) GetRcovalent( (PeriodicTable)arg1, (int)arg2) -> float : |
GetRvdw(...) GetRvdw( (PeriodicTable)arg1, (int)arg2) -> float : |
GetValenceList(...) GetValenceList( (PeriodicTable)arg1, (int)arg2) -> _vecti : |
__init__(...) Raises an exception... |
__reduce__(...) helper for pickle |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

Properties | [hide private]
Inherited from `object`: `__class__`

Method Details | [hide private]

### GetAtomicNumber(...) |
    GetAtomicNumber( (PeriodicTable)arg1, (str)arg2) -> int :

        C++ signature :
            int GetAtomicNumber(RDKit::PeriodicTable {lvalue},std::string)

### GetAtomicWeight(...) |
    GetAtomicWeight( (PeriodicTable)arg1, (int)arg2) -> float :

        C++ signature :
            double GetAtomicWeight(RDKit::PeriodicTable {lvalue},unsigned int)

    GetAtomicWeight( (PeriodicTable)arg1, (str)arg2) -> float :

        C++ signature :
            double GetAtomicWeight(RDKit::PeriodicTable {lvalue},std::string)

### GetDefaultValence(...) |
    GetDefaultValence( (PeriodicTable)arg1, (int)arg2) -> int :

        C++ signature :
            int GetDefaultValence(RDKit::PeriodicTable {lvalue},unsigned int)

    GetDefaultValence( (PeriodicTable)arg1, (str)arg2) -> int :

        C++ signature :
            int GetDefaultValence(RDKit::PeriodicTable {lvalue},std::string)

### GetElementSymbol(...) |
    GetElementSymbol( (PeriodicTable)arg1, (int)arg2) -> str :

        C++ signature :
            std::string GetElementSymbol(RDKit::PeriodicTable {lvalue},unsigned int)

### GetNOuterElecs(...) |
    GetNOuterElecs( (PeriodicTable)arg1, (int)arg2) -> int :

        C++ signature :
            int GetNOuterElecs(RDKit::PeriodicTable {lvalue},unsigned int)

    GetNOuterElecs( (PeriodicTable)arg1, (str)arg2) -> int :

        C++ signature :
            int GetNOuterElecs(RDKit::PeriodicTable {lvalue},std::string)

### GetRcovalent(...) |
    GetRcovalent( (PeriodicTable)arg1, (int)arg2) -> float :

        C++ signature :
            double GetRcovalent(RDKit::PeriodicTable {lvalue},unsigned int)

    GetRcovalent( (PeriodicTable)arg1, (str)arg2) -> float :

        C++ signature :
            double GetRcovalent(RDKit::PeriodicTable {lvalue},std::string)

### GetRvdw(...) |
    GetRvdw( (PeriodicTable)arg1, (int)arg2) -> float :

        C++ signature :
            double GetRvdw(RDKit::PeriodicTable {lvalue},unsigned int)

    GetRvdw( (PeriodicTable)arg1, (str)arg2) -> float :

        C++ signature :
            double GetRvdw(RDKit::PeriodicTable {lvalue},std::string)

### GetValenceList(...) |
    GetValenceList( (PeriodicTable)arg1, (int)arg2) -> _vecti :

        C++ signature :
            std::vector<int, std::allocator<int> > GetValenceList(RDKit::PeriodicTable {lvalue},unsigned int)

    GetValenceList( (PeriodicTable)arg1, (str)arg2) -> _vecti :

        C++ signature :
            std::vector<int, std::allocator<int> > GetValenceList(RDKit::PeriodicTable {lvalue},std::string)

### __init__(...) (Constructor) |
    Raises an exception
    This class cannot be instantiated from Python
Overrides: object.__init__

### __reduce__(...) |
    helper for pickle
Overrides: object.__reduce__ (inherited documentation)