Package Chem :: Module rdchem :: Class PeriodicTable

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__

Class PeriodicTable

GetAtomicNumber(...)

GetAtomicWeight(...)

GetDefaultValence(...)

GetElementSymbol(...)

GetNOuterElecs(...)

GetRcovalent(...)

GetRvdw(...)

GetValenceList(...)

__init__(...) (Constructor)

init(...)
(Constructor)