Chem.rdchem.PeriodicTable

Package Chem :: Module rdchem :: Class PeriodicTable |
[hide private]
[frames] | no frames]

# Class PeriodicTable

     object --+
              |
    ??.instance --+
                  |
                 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(...) C++ signature:... |
GetAtomicWeight(...) C++ signature:... |
GetDefaultValence(...) C++ signature:... |
GetElementSymbol(...) C++ signature:... |
GetNOuterElecs(...) C++ signature:... |
GetRcovalent(...) C++ signature:... |
GetRvdw(...) C++ signature:... |
GetValenceList(...) C++ signature:... |
__init__(...) Raises an exception... |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__getattribute__`, `__hash__`, `__reduce__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

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

Method Details | [hide private]

### GetAtomicNumber(...) |
    C++ signature:
    GetAtomicNumber(RDKit::PeriodicTable {lvalue}, std::string) -> int

### GetAtomicWeight(...) |
    C++ signature:
        GetAtomicWeight(RDKit::PeriodicTable {lvalue}, unsigned int) -> double
    C++ signature:
        GetAtomicWeight(RDKit::PeriodicTable {lvalue}, std::string) -> double

### GetDefaultValence(...) |
    C++ signature:
        GetDefaultValence(RDKit::PeriodicTable {lvalue}, unsigned int) -> int
    C++ signature:
        GetDefaultValence(RDKit::PeriodicTable {lvalue}, std::string) -> int

### GetElementSymbol(...) |
    C++ signature:
    GetElementSymbol(RDKit::PeriodicTable {lvalue}, unsigned int) -> std::string

### GetNOuterElecs(...) |
    C++ signature:
        GetNOuterElecs(RDKit::PeriodicTable {lvalue}, unsigned int) -> int
    C++ signature:
        GetNOuterElecs(RDKit::PeriodicTable {lvalue}, std::string) -> int

### GetRcovalent(...) |
    C++ signature:
        GetRcovalent(RDKit::PeriodicTable {lvalue}, unsigned int) -> double
    C++ signature:
        GetRcovalent(RDKit::PeriodicTable {lvalue}, std::string) -> double

### GetRvdw(...) |
    C++ signature:
        GetRvdw(RDKit::PeriodicTable {lvalue}, unsigned int) -> double
    C++ signature:
        GetRvdw(RDKit::PeriodicTable {lvalue}, std::string) -> double

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

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