cctbx.eltbx.attenuation_coefficient module

cctbx.eltbx.attenuation_coefficient.chemlex(formula)

Function taking a chemical formula and getting the component elements and number.

Parsing is simply done by regex and no checking for whether the symbol corresponds to anything real is done. Proper capitalisation must be used.

Params:

formula A chemical formula string

Returns:

A list of (symbol, number) tuples

cctbx.eltbx.attenuation_coefficient.get_table(index)

Get the table for a given element or composite

Params:

index Either an atomic number of symbol

Returns:

The table for the requested element

class cctbx.eltbx.attenuation_coefficient.nist_elements

Bases: object

A table of nist elements and composite materials. Note that elements are only defined up to uranium.

atomic_number(symbol)

Get the atomic number from the symbol.

Params:

symbol The element symbol

Returns:

The atomic number

atomic_number_list()

Return a list of atomic numbers.

symbol(number)

Get the symbol from the atomic number

Params:

number The atomic number

Returns:

The symbol

symbol_list()

Return the list of elements.