SpeciesIsotope

class pyarts.arts.SpeciesIsotope(*args, **kwargs)

Contains descriptions about an isotope.

Workspace methods that require SpeciesIsotope

The valid isotopologues are:

Name

Mass (g/mol)

Degeneracy

Default Ratio

Predefined or Joker or Normal

AIR

nan

-1

nan

Joker

H2O

nan

-1

nan

Joker

H2O-161

18.010565

1

0.997317

Normal

H2O-162

19.01674

6

0.000310693

Normal

H2O-171

19.01478

6

0.000371884

Normal

H2O-172

20.020956

36

1.15853e-07

Normal

H2O-181

20.014811

1

0.00199983

Normal

H2O-182

21.020985

6

6.23003e-07

Normal

H2O-262

20.022915

1

2.4197e-08

Normal

H2O-ForeignContCKDMT320

nan

-1

nan

Predefined

H2O-ForeignContCKDMT350

nan

-1

nan

Predefined

H2O-ForeignContCKDMT400

nan

-1

nan

Predefined

H2O-ForeignContStandardType

nan

-1

nan

Predefined

H2O-MPM89

nan

-1

nan

Predefined

H2O-PWR2021

nan

-1

nan

Predefined

H2O-PWR2022

nan

-1

nan

Predefined

H2O-PWR98

nan

-1

nan

Predefined

H2O-SelfContCKDMT320

nan

-1

nan

Predefined

H2O-SelfContCKDMT350

nan

-1

nan

Predefined

H2O-SelfContCKDMT400

nan

-1

nan

Predefined

H2O-SelfContStandardType

nan

-1

nan

Predefined

CO2

nan

-1

nan

Joker

CO2-626

43.98983

1

0.984204

Normal

CO2-627

44.994045

6

0.000733989

Normal

CO2-628

45.994076

1

0.00394707

Normal

CO2-636

44.993185

2

0.0110574

Normal

CO2-637

45.9974

12

8.24623e-06

Normal

CO2-638

46.997431

2

4.43446e-05

Normal

CO2-727

45.998262

1

1.36847e-07

Normal

CO2-737

47.001618

2

1.5375e-09

Normal

CO2-827

46.998291

6

1.4718e-06

Normal

CO2-828

47.998322

1

3.95734e-06

Normal

CO2-837

48.001646

12

1.65354e-08

Normal

CO2-838

49.001675

2

4.446e-08

Normal

CO2-CKDMT252

nan

-1

nan

Predefined

O3

nan

-1

nan

Joker

O3-666

47.984745

1

0.992901

Normal

O3-667

48.98896

6

0.000740475

Normal

O3-668

49.988991

1

0.00398194

Normal

O3-676

48.98896

6

0.000370237

Normal

O3-686

49.988991

1

0.00199097

Normal

N2O

nan

-1

nan

Joker

N2O-446

44.001062

9

0.990333

Normal

N2O-447

45.005278

54

0.00036928

Normal

N2O-448

46.005308

9

0.00198582

Normal

N2O-456

44.998096

6

0.00364093

Normal

N2O-546

44.998096

6

0.00364093

Normal

CO

nan

-1

nan

Joker

CO-26

27.994915

1

0.986544

Normal

CO-27

28.99913

6

0.000367867

Normal

CO-28

29.999161

1

0.00197822

Normal

CO-36

28.99827

2

0.0110836

Normal

CO-37

30.002485

12

4.13292e-06

Normal

CO-38

31.002516

2

2.2225e-05

Normal

CH4

nan

-1

nan

Joker

CH4-211

16.0313

1

0.988274

Normal

CH4-212

17.037475

3

0.000615751

Normal

CH4-311

17.034655

2

0.0111031

Normal

CH4-312

18.04083

6

6.91785e-06

Normal

O2

nan

-1

nan

Joker

O2-66

31.98983

1

0.995262

Normal

O2-67

32.994045

6

0.000742235

Normal

O2-68

33.994076

1

0.00399141

Normal

O2-CIAfunCKDMT100

nan

-1

nan

Predefined

O2-MPM2020

nan

-1

nan

Predefined

O2-MPM89

nan

-1

nan

Predefined

O2-PWR2021

nan

-1

nan

Predefined

O2-PWR2022

nan

-1

nan

Predefined

O2-PWR98

nan

-1

nan

Predefined

O2-SelfContStandardType

nan

-1

nan

Predefined

O2-TRE05

nan

-1

nan

Predefined

O2-v0v0CKDMT100

nan

-1

nan

Predefined

O2-v1v0CKDMT100

nan

-1

nan

Predefined

O2-visCKDMT252

nan

-1

nan

Predefined

NO

nan

-1

nan

Joker

NO-46

29.997989

3

0.993974

Normal

NO-48

32.002234

3

0.00199312

Normal

NO-56

30.995023

2

0.00365431

Normal

SO2

nan

-1

nan

Joker

SO2-626

63.961901

1

0.945678

Normal

SO2-628

65.966146

1

0.0020417379

Normal

SO2-636

64.961286

4

0.0074989421

Normal

SO2-646

65.957695

1

0.0419503

Normal

NO2

nan

-1

nan

Joker

NO2-646

45.992904

3

0.991616

Normal

NO2-656

46.989938

2

0.00364564

Normal

NH3

nan

-1

nan

Joker

NH3-4111

17.026549

3

0.995872

Normal

NH3-4112

18

-1

0.00044792294

Normal

NH3-5111

18.023583

2

0.00366129

Normal

HNO3

nan

-1

nan

Joker

HNO3-146

62.995644

6

0.98911

Normal

HNO3-156

63.99268

4

0.003636

Normal

OH

nan

-1

nan

Joker

OH-61

17.00274

2

0.997473

Normal

OH-62

18.008915

3

0.000155371

Normal

OH-81

19.006986

2

0.00200014

Normal

HF

nan

-1

nan

Joker

HF-19

20.006229

4

0.999844

Normal

HF-29

21.012404

6

0.000155741

Normal

HCl

nan

-1

nan

Joker

HCl-15

35.976678

8

0.757587

Normal

HCl-17

37.973729

8

0.242257

Normal

HCl-25

36.982853

12

0.000118005

Normal

HCl-27

38.979904

12

3.7735e-05

Normal

HBr

nan

-1

nan

Joker

HBr-11

81.924115

8

0.493063

Normal

HBr-19

79.92616

8

0.506781

Normal

HBr-21

82.930289

12

7.68016e-05

Normal

HBr-29

80.932336

12

7.89384e-05

Normal

HI

nan

-1

nan

Joker

HI-17

127.912297

12

0.999844

Normal

HI-27

128.918472

18

0.000155741

Normal

ClO

nan

-1

nan

Joker

ClO-56

50.963768

4

0.755908

Normal

ClO-76

52.960819

4

0.24172

Normal

OCS

nan

-1

nan

Joker

OCS-622

59.966986

1

0.937395

Normal

OCS-623

60.966371

4

0.00739908

Normal

OCS-624

61.96278

1

0.0415828

Normal

OCS-632

60.970341

2

0.0105315

Normal

OCS-634

62.966137

2

0.000467508

Normal

OCS-822

61.971231

1

0.00187967

Normal

H2CO

nan

-1

nan

Joker

H2CO-126

30.010565

1

0.986237

Normal

H2CO-128

32.014811

1

0.00197761

Normal

H2CO-136

31.01392

2

0.0110802

Normal

HDCO

nan

-1

nan

Joker

HDCO-26

31

-1

0.0002957894

Normal

D2CO

nan

-1

nan

Joker

D2CO-26

32

-1

2.2181076e-08

Normal

HOCl

nan

-1

nan

Joker

HOCl-165

51.971593

8

0.75579

Normal

HOCl-167

53.968644

8

0.241683

Normal

N2

nan

-1

nan

Joker

N2-44

28.006148

1

0.992687

Normal

N2-45

29.003182

6

0.00747809

Normal

N2-CIAfunCKDMT252

nan

-1

nan

Predefined

N2-CIArotCKDMT252

nan

-1

nan

Predefined

N2-SelfContMPM93

nan

-1

nan

Predefined

N2-SelfContPWR2021

nan

-1

nan

Predefined

N2-SelfContStandardType

nan

-1

nan

Predefined

HCN

nan

-1

nan

Joker

HCN-124

27.010899

6

0.985114

Normal

HCN-125

28.007933

4

0.00362174

Normal

HCN-134

28.014254

12

0.0110676

Normal

HCN-224

28

-1

0.00014773545

Normal

CH3Cl

nan

-1

nan

Joker

CH3Cl-215

49.992328

4

0.748937

Normal

CH3Cl-217

51.989379

4

0.239491

Normal

H2O2

nan

-1

nan

Joker

H2O2-1661

34.00548

1

0.994952

Normal

C2H2

nan

-1

nan

Joker

C2H2-1221

26.01565

1

0.977599

Normal

C2H2-1222

27.021825

6

0.00030455

Normal

C2H2-1231

27.019005

8

0.0219663

Normal

C2H6

nan

-1

nan

Joker

C2H6-1221

30.04695

1

0.97699

Normal

C2H6-1231

31.050305

2

0.0219526

Normal

PH3

nan

-1

nan

Joker

PH3-1111

33.997238

2

0.999533

Normal

COF2

nan

-1

nan

Joker

COF2-269

65.991722

1

0.986544

Normal

COF2-369

66.995083

2

0.0110834

Normal

SF6

nan

-1

nan

Joker

SF6-29

145.962492

1

0.95018

Normal

H2S

nan

-1

nan

Joker

H2S-121

33.987721

1

0.949884

Normal

H2S-122

35

-1

0.00029991625

Normal

H2S-131

34.987105

4

0.00749766

Normal

H2S-141

35.983515

1

0.0421369

Normal

HCOOH

nan

-1

nan

Joker

HCOOH-126

46.00548

4

0.983898

Normal

HCOOH-136

47

-1

0.010913149

Normal

DCOOH

nan

-1

nan

Joker

DCOOH-266

47

-1

0.00014755369

Normal

HCOOD

nan

-1

nan

Joker

HCOOD-266

47

-1

0.00014755369

Normal

HO2

nan

-1

nan

Joker

HO2-166

32.997655

2

0.995107

Normal

O

nan

-1

nan

Joker

O-6

15.994915

1

0.997628

Normal

ClONO2

nan

-1

nan

Joker

ClONO2-5646

96.956672

12

0.74957

Normal

ClONO2-7646

98.953723

12

0.239694

Normal

NO+

nan

-1

nan

Joker

NO+-46

29.997989

3

0.993974

Normal

HOBr

nan

-1

nan

Joker

HOBr-161

97.919027

8

0.491894

Normal

HOBr-169

95.921076

8

0.505579

Normal

C2H4

nan

-1

nan

Joker

C2H4-221

28.0313

1

0.977294

Normal

C2H4-231

29.034655

2

0.0219595

Normal

CH3OH

nan

-1

nan

Joker

CH3OH-2161

32.026215

2

0.98593

Normal

CH3Br

nan

-1

nan

Joker

CH3Br-211

95.939764

4

0.487433

Normal

CH3Br-219

93.941811

4

0.500995

Normal

CH3CN

nan

-1

nan

Joker

CH3CN-2124

41.026549

3

0.973866

Normal

CH3CN-2125

42

-1

0.00347136

Normal

CH3CN-2134

42

-1

0.0102683

Normal

CH3CN-3124

42

-1

0.0102683

Normal

CH2DCN

nan

-1

nan

Joker

CH2DCN-224

42

-1

0.000441185

Normal

CF4

nan

-1

nan

Joker

CF4-29

87.993616

1

0.98889

Normal

C4H2

nan

-1

nan

Joker

C4H2-2211

50.01565

1

0.955998

Normal

HC3N

nan

-1

nan

Joker

HC3N-12224

51.010899

6

0.963346

Normal

HC3N-12225

52

-1

0.00356272

Normal

HC3N-12234

52

-1

0.0106852

Normal

HC3N-12324

52

-1

0.0106852

Normal

HC3N-13224

52

-1

0.0106852

Normal

HC3N-22224

52

-1

0.000144472

Normal

H2

nan

-1

nan

Joker

H2-11

2.01565

1

0.999688

Normal

H2-12

3.021825

6

0.000311432

Normal

CS

nan

-1

nan

Joker

CS-22

43.971036

1

0.939624

Normal

CS-23

44.970399

4

0.00741668

Normal

CS-24

45.966787

1

0.0416817

Normal

CS-32

44.974368

2

0.0105565

Normal

SO3

nan

-1

nan

Joker

SO3-26

79.95682

1

0.9434

Normal

C2N2

nan

-1

nan

Joker

C2N2-4224

52.006148

1

0.970752

Normal

COCl2

nan

-1

nan

Joker

COCl2-2655

97.93262

1

0.566392

Normal

COCl2-2657

99.92967

16

0.362235

Normal

SO

nan

-1

nan

Joker

SO-26

47.966986

1

0.950605

Normal

SO-28

49.971231

1

0.00194089

Normal

SO-46

49.962782

1

0.0420727

Normal

CS2

nan

-1

nan

Joker

CS2-222

75.94414

1

0.892811

Normal

CS2-223

76.943256

4

0.014094

Normal

CS2-224

77.93994

1

0.07926

Normal

CS2-232

76.947495

2

0.01031

Normal

CH3

nan

-1

nan

Joker

C3H4

nan

-1

nan

Joker

H2SO4

nan

-1

nan

Joker

H2SO4-126

98

-1

0.95060479

Normal

HNC

nan

-1

nan

Joker

HNC-142

27

-1

0.98528

Normal

HNC-143

28

-1

0.0109285

Normal

HNC-152

28

-1

0.00364384

Normal

HNC-242

28

-1

0.000147761

Normal

BrO

nan

-1

nan

Joker

BrO-16

97

-1

0.49431069

Normal

BrO-96

95

-1

0.50582466

Normal

OClO

nan

-1

nan

Joker

OClO-656

67

-1

0.75509223

Normal

OClO-676

69

-1

0.24490632

Normal

C3H8

nan

-1

nan

Joker

C3H8-21

54

-1

0.96629

Normal

He

nan

-1

nan

Joker

He-4

4

-1

1

Normal

Cl2O2

nan

-1

nan

Joker

Cl2O2-565

102

-1

0.57016427

Normal

Cl2O2-765

104

-1

0.36982818

Normal

H

nan

-1

nan

Joker

H-1

1

-1

1

Normal

Ar

nan

-1

nan

Joker

Ar-8

39.948

-1

1

Normal

C2F6

nan

-1

nan

Joker

C3F8

nan

-1

nan

Joker

C4F10

nan

-1

nan

Joker

C5F12

nan

-1

nan

Joker

C6F14

nan

-1

nan

Joker

C8F18

nan

-1

nan

Joker

cC4F8

nan

-1

nan

Joker

CCl4

nan

-1

nan

Joker

CFC11

nan

-1

nan

Joker

CFC113

nan

-1

nan

Joker

CFC114

nan

-1

nan

Joker

CFC115

nan

-1

nan

Joker

CFC12

nan

-1

nan

Joker

CH2Cl2

nan

-1

nan

Joker

CH3CCl3

nan

-1

nan

Joker

CHCl3

nan

-1

nan

Joker

Halon1211

nan

-1

nan

Joker

Halon1301

nan

-1

nan

Joker

Halon2402

nan

-1

nan

Joker

HCFC141b

nan

-1

nan

Joker

HCFC142b

nan

-1

nan

Joker

HCFC22

nan

-1

nan

Joker

HFC125

nan

-1

nan

Joker

HFC134a

nan

-1

nan

Joker

HFC143a

nan

-1

nan

Joker

HFC152a

nan

-1

nan

Joker

HFC227ea

nan

-1

nan

Joker

HFC23

nan

-1

nan

Joker

HFC236fa

nan

-1

nan

Joker

HFC245fa

nan

-1

nan

Joker

HFC32

nan

-1

nan

Joker

HFC365mfc

nan

-1

nan

Joker

NF3

nan

-1

nan

Joker

NF3-4999

70.998286

3

0.996337

Normal

SO2F2

nan

-1

nan

Joker

HFC4310mee

nan

-1

nan

Joker

GeH4

nan

-1

nan

Joker

GeH4-011

73.95555

1

0.205072

Normal

GeH4-211

75.95338

1

0.274129

Normal

GeH4-311

76.954764

10

0.775517

Normal

GeH4-411

77.952479

1

0.365172

Normal

GeH4-611

79.952703

1

0.775517

Normal

CH3I

nan

-1

nan

Joker

CH3I-217

141.927947

6

0.988428

Normal

CH3F

nan

-1

nan

Joker

CH3F-219

34.021878

2

0.988428

Normal

liquidcloud

nan

-1

nan

Joker

liquidcloud-ELL07

nan

-1

nan

Predefined

icecloud

nan

-1

nan

Joker

rain

nan

-1

nan

Joker

free_electrons

nan

-1

nan

Joker

particles

nan

-1

nan

Joker

Overview

Method

Q()

Partition function

Method

readxml()

Read variable from file

Method

savexml()

Saves variable to file

Static Method

fromxml()

Create variable from file

Attribute

gi

float The degeneracy of states of the molecule. It is -1 if not defined.

Attribute

isotname

str A custom name that is unique for this Species type

Attribute

mass

float The mass of the isotope in units of grams per mol. It is Nan if not defined

Attribute

name

String The full name

Attribute

predef

bool Check if this represents a predefined model

Attribute

spec

Species The species

Operator

__eq__()

Return self==value.

Operator

__format__()

__format__(self, arg: str, /) -> str

Operator

__ge__()

Return self>=value.

Operator

__getstate__()

__getstate__(self) -> tuple[pyarts.arts.SpeciesEnum, std::basic_string_view<char, std::char_traits<char> >, float, int]

Operator

__gt__()

Return self>value.

Operator

__hash__()

Return hash(self).

Operator

__init__()

Overloaded function.

Operator

__le__()

Return self<=value.

Operator

__lt__()

Return self<value.

Operator

__ne__()

Return self!=value.

Operator

__repr__()

__repr__(self) -> str

Operator

__setstate__()

__setstate__(self, arg: tuple[pyarts.arts.SpeciesEnum, str, float, int], /) -> None

Operator

__str__()

__str__(self) -> str

Constructors

__init__(self) None
__init__(self, arg: pyarts.arts.SpeciesIsotope) None
__init__(self, isot: int = 0) None
__init__(self, arg: str, /) None
__init__(self, arg: str, /) None

Overloaded function.

  1. __init__(self) -> None

  2. __init__(self, arg: pyarts.arts.SpeciesIsotope) -> None

  3. __init__(self, isot: int = 0) -> None

From position

  1. __init__(self, arg: str, /) -> None

From str

  1. __init__(self, arg: str, /) -> None

Methods

Q(self, T: float) float

Partition function

readxml(self, file: str) None

Read variable from file

Parameters:

file (str) – A file that can be read

On Error:

Throws RuntimeError for any failure to read

savexml(self, file: str, type: str = 'ascii', clobber: bool = True) None

Saves variable to file

Parameters:
  • file (str) – The path to which the file is written. Note that several of the options might modify the name or write more files

  • type (str) – Type of file to save. See FileType for options.

  • clobber (bool) – Overwrite existing files or add new file with modified name?

On Error:

Throws RuntimeError for any failure to save

Static Methods

fromxml(file: str) pyarts.arts.SpeciesIsotope

Create variable from file

Parameters:

file (str) – A file that can be read

On Error:

Throws RuntimeError for any failure to read

Attributes

gi

float The degeneracy of states of the molecule. It is -1 if not defined.

isotname

str A custom name that is unique for this Species type

mass

float The mass of the isotope in units of grams per mol. It is Nan if not defined

name

String The full name

predef

bool Check if this represents a predefined model

spec

Species The species

Operators

__eq__(value, /)

Return self==value.

__format__(self, arg: str, /) str
__ge__(value, /)

Return self>=value.

__getstate__(self) tuple[pyarts.arts.SpeciesEnum, std::basic_string_view<char, std::char_traits<char> >, float, int]
__gt__(value, /)

Return self>value.

__hash__()

Return hash(self).

__init__(self) None
__init__(self, arg: pyarts.arts.SpeciesIsotope) None
__init__(self, isot: int = 0) None
__init__(self, arg: str, /) None
__init__(self, arg: str, /) None

Overloaded function.

  1. __init__(self) -> None

  2. __init__(self, arg: pyarts.arts.SpeciesIsotope) -> None

  3. __init__(self, isot: int = 0) -> None

From position

  1. __init__(self, arg: str, /) -> None

From str

  1. __init__(self, arg: str, /) -> None

__le__(value, /)

Return self<=value.

__lt__(value, /)

Return self<value.

__ne__(value, /)

Return self!=value.

__repr__(self) str
__setstate__(self, arg: tuple[pyarts.arts.SpeciesEnum, str, float, int], /) None
__str__(self) str