Elements

There are two helper classes for chemical elements: Elements and Element.

Elements contains read-only static attributes for each element supported in AMS, accessible by their capitalized names. For example:

  • Elements.Hydrogen: Represents the element Hydrogen.

  • Elements.Carbon: Represents the element Carbon.

Each attribute is an instance of Element corresponding to that element. Additionally, the Elements class provides class methods for retrieving the elements by symbol or atomic number. E.g.:

from scm.libbase import Elements

for z in range(1,100):
    el = Elements.from_atomic_number(z) # 'el' is an instance of the Element class
    print(f"{el.symbol}: mass {el.mass} [dalton]")
class Element
property Z

The atomic number of the element.

property bond_guess_connectors

Number of connectors of an atom as used by the AMS bond guessing algorithm.

property bond_guess_electro_negative

Whether or not an element is considered electronegative by the AMS bond guessing algorithm.

property bond_guess_metallic

Whether or not an element is considered metallic by the AMS bond guessing algorithm.

property color

The color of the element used in the AMS graphical user interface.

property lone_pairs

The element’s number of lone pairs as used by the AMS bond guessing algorithm.

property mass

The atomic mass (in Dalton) of the most abundant naturally occurring isotope of the element.

property radius

The covalent radius of the element in angstrom.

property symbol

The symbol of the element, e.g C for carbon.

class Elements
static from_atomic_number(Z: int) → Element

Returns an Element given its atomic number.

static from_symbol(symbol: str) → Element

Returns an Element given the element symbol as a string.