atomic module

This modules contains basic atomic parameters (i.e. atomic numbers, element symbols)

atomic.py contains routines related to basic atomic data, e.g. converting integer nuclear charge to element symbols, etc.

Version -.1 - initial release Adam Foster July 17th 2015

pyatomdb.atomic.Z_to_mass(Z, raw=False)

Converts element symbol to atomic mass, e.g. “C” -> 12.0107

Isotope fractions based on those found in earth’s crust samples, your astrophysical object may vary.

Parameters

Zint

nuclear charge, e.g 6 for C

rawbool

if true, ignore Z, and return the entire mass list as an array with a 0 at the beginning so ret[12] = mass of carbon.

Returns

——-

float

mass in a.m.u. for the element. (e.g. 12.0107 for C)

References

Atomic masses are taken from: Pure Appl. Chem. 81 NO 11, 2131-2156 (2009) Masses for Technetium, Promethium, Polonium, Astatine, Radon, Francium, Radium & Actinum are estimates. If you need these you probably aren’t doing astronomy…

pyatomdb.atomic.Ztoelname(Z)

Returns element name of element with nuclear charge Z.

Parameters

Zint

nuclear charge of element (e.g. 6 for carbon)

Returns

str

element name (e.g. “Carbon” for carbon)

pyatomdb.atomic.Ztoelsymb(Z)

Returns element symbol of element with nuclear charge Z.

Parameters

Z - nuclear charge of element (e.g. 6 for carbon)

Returns

element symbol (e.g. “C” for carbon)

Version 0.1 28 July 2009

Adam Foster

pyatomdb.atomic.config_to_occup(cfgstr, nel=-1, shlmax=-1, noccup=[-1])

pyatomdb.atomic.elsymb_to_Z(elsymb)

Converts element symbol to nuclear charge, e.g. “C” -> 6

Parameters

elsymbstr

Element symbol, e.g. “C”. Case insensitive.

Returns

int

Z for the ion. (e.g. 6 for C)

pyatomdb.atomic.elsymb_to_z0(elsymb)

Converts element symbol to nuclear charge, e.g. “C” -> 6 (wrapper to elsymb_to_Z, retained for consistency)

Parameters

elsymbstr

Element symbol, e.g. “C”. Case insensitive.

Returns

int

Z for the ion. (e.g. 6 for C)

pyatomdb.atomic.get_maxn(cfgstr)

pyatomdb.atomic.get_parity(cfgstr)

pyatomdb.atomic.int2roman(number)

pyatomdb.atomic.int_to_roman(input)

Convert an integer to Roman numerals.

pyatomdb.atomic.occup_to_cfg(occlist)

pyatomdb.atomic.occup_to_config(occup)

pyatomdb.atomic.parse_config(cfgstr)

pyatomdb.atomic.parse_eissner(cfgstr, nel=0, levelmap=None)

pyatomdb.atomic.roman_to_int(input)

Convert a roman numeral to an integer.

pyatomdb.atomic.shorten_config(cfgstr, nel=0)

Shorten the configuration as required

Parameters

cfgstrstring

configuration string. Should be simplified already e.g. ‘1s2 2s2 3p1’

Returns

cfgshrtstring

shortened configuration, e.g. ‘3p1’

pyatomdb.atomic.spectroscopic_name(Z, z1)

Converts Z,z1 to spectroscopic name, e.g. 6,5 to “C V”

Parameters

Zint

nuclear charge (e.g. 6 for C)

z1int

ion charge +1 (e.g. 5 for C4+)

Returns

str

spectroscopic symbol for ion (e.g. “C V” for C+4)

pyatomdb.atomic.spectroscopictoz0(name)

Converts spectroscopic name to Z, z1, e.g. “C V” to 6,5

Parameters

namestr

Ion name, e.g. “C V”

Returns

int, int

Z, z1 for the ion. (e.g. 6,5 for C V)

pyatomdb.atomic.z0_to_mass(z0)

Converts element symbol to atomic mass, e.g. “C” -> 12.0107

(wrapper to Z_to_mass, retained for consistency)

Isotope fractions based on those found in earth’s crust samples, your astrophysical object may vary.

Parameters

z0int

nuclear charge, e.g 6 for C

Returns

float

mass in a.m.u. for the element. (e.g. 12.0107 for C)

References

Atomic masses are taken from: Pure Appl. Chem. 81 NO 11, 2131-2156 (2009) Masses for Technetium, Promethium, Polonium, Astatine, Radon, Francium, Radium & Actinum are estimates. If you need these you probably aren’t doing astronomy…

pyatomdb.atomic.z0toelname(z0)

Returns element name of element with nuclear charge z0. (wrapper to Ztoelname for compatibility purposes)

Parameters

z0int

nuclear charge of element (e.g. 6 for carbon)

Returns

str

element name (e.g. “Carbon” for carbon)

pyatomdb.atomic.z0toelsymb(z0)

Returns element symbol of element with nuclear charge z0. (wrapper to Ztoelsymb for compatibility purposes)

Parameters

z0int

nuclear charge of element (e.g. 6 for carbon)

Returns

str

element symbol (e.g. “C” for carbon)