Package rdkit :: Package Chem :: Module rdchem :: Class PeriodicTable
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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(...)
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__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

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)