pythonradex 1.0.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (780) hide show
  1. pythonradex-1.0.0/.gitignore +125 -0
  2. pythonradex-1.0.0/.readthedocs.yaml +22 -0
  3. pythonradex-1.0.0/LICENSE.txt +21 -0
  4. pythonradex-1.0.0/MANIFEST.in +1 -0
  5. pythonradex-1.0.0/PKG-INFO +28 -0
  6. pythonradex-1.0.0/PyPi_publication_cheatsheet.txt +2 -0
  7. pythonradex-1.0.0/README.txt +5 -0
  8. pythonradex-1.0.0/docs/API.rst +66 -0
  9. pythonradex-1.0.0/docs/Makefile +20 -0
  10. pythonradex-1.0.0/docs/citation.rst +3 -0
  11. pythonradex-1.0.0/docs/conf.py +77 -0
  12. pythonradex-1.0.0/docs/difference_pythonradex_RADEX.rst +30 -0
  13. pythonradex-1.0.0/docs/examples.rst +16 -0
  14. pythonradex-1.0.0/docs/faq.rst +11 -0
  15. pythonradex-1.0.0/docs/geometry.rst +98 -0
  16. pythonradex-1.0.0/docs/help.rst +4 -0
  17. pythonradex-1.0.0/docs/index.rst +69 -0
  18. pythonradex-1.0.0/docs/installation.rst +12 -0
  19. pythonradex-1.0.0/docs/make.bat +35 -0
  20. pythonradex-1.0.0/docs/notebooks/LVG_geometry.ipynb +190 -0
  21. pythonradex-1.0.0/docs/notebooks/co.dat +1753 -0
  22. pythonradex-1.0.0/docs/notebooks/continuum_effects.ipynb +660 -0
  23. pythonradex-1.0.0/docs/notebooks/get_started.ipynb +514 -0
  24. pythonradex-1.0.0/docs/notebooks/grid_search.ipynb +313 -0
  25. pythonradex-1.0.0/docs/notebooks/hcn@hfs.dat +392 -0
  26. pythonradex-1.0.0/docs/notebooks/optically_thick_spectrum.ipynb +134 -0
  27. pythonradex-1.0.0/docs/notebooks/overlapping_lines.ipynb +624 -0
  28. pythonradex-1.0.0/docs/notebooks/reading_LAMDA_files.ipynb +386 -0
  29. pythonradex-1.0.0/docs/notebooks/simple_example.ipynb +452 -0
  30. pythonradex-1.0.0/docs/requirements.txt +8 -0
  31. pythonradex-1.0.0/docs/theory.rst +122 -0
  32. pythonradex-1.0.0/manual_tests_and_benchmarks/RADEX_wrapper/radex_wrapper.py +158 -0
  33. pythonradex-1.0.0/manual_tests_and_benchmarks/benchmarking_vs_RADEX_and_LIME/RADEX_vs_pythonradex_vs_LIME.py +254 -0
  34. pythonradex-1.0.0/manual_tests_and_benchmarks/check_GammaC_interpolation/check_GammaC_interpolation.py +117 -0
  35. pythonradex-1.0.0/manual_tests_and_benchmarks/compare_geometry_betas/compare_betas.py +30 -0
  36. pythonradex-1.0.0/manual_tests_and_benchmarks/emerging_flux/check_sphere_flux.py +98 -0
  37. pythonradex-1.0.0/manual_tests_and_benchmarks/emerging_flux/compare_emerging_flux_formula.py +53 -0
  38. pythonradex-1.0.0/manual_tests_and_benchmarks/emerging_flux/thin_flux_sphere_vs_RADEX.py +83 -0
  39. pythonradex-1.0.0/manual_tests_and_benchmarks/explore_dust/check_dust_influence.py +68 -0
  40. pythonradex-1.0.0/manual_tests_and_benchmarks/explore_overlapping_lines_with_modified_OH/overlapping_lines_with_modified_OH.py +100 -0
  41. pythonradex-1.0.0/manual_tests_and_benchmarks/general.py +14 -0
  42. pythonradex-1.0.0/manual_tests_and_benchmarks/investigate_average_over_phi_nu/compare_averaged_beta_to_beta_nu0.py +53 -0
  43. pythonradex-1.0.0/manual_tests_and_benchmarks/investigate_average_over_phi_nu/impact_of_averaging_for_dust.py +79 -0
  44. pythonradex-1.0.0/manual_tests_and_benchmarks/investigate_average_over_phi_nu/impact_of_beta_averaging.py +88 -0
  45. pythonradex-1.0.0/manual_tests_and_benchmarks/lime/pyLime.py +398 -0
  46. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/Gianni_models/CO_reference_model_no_dust.inp +121 -0
  47. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/Gianni_models/HCN_model_no_overlap.inp +121 -0
  48. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/Gianni_models/HCN_model_with_overlap.inp +121 -0
  49. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/Gianni_models/OH_model_no_overlap_modified_atomic_data.inp +120 -0
  50. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/Gianni_models/OH_model_with_overlap_modified_atomic_data.inp +120 -0
  51. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/hcn_model.py +43 -0
  52. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/molpop.inp +41 -0
  53. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/oh_model_with_modified_atomic_data.py +50 -0
  54. pythonradex-1.0.0/manual_tests_and_benchmarks/molpop-cep_benchmark/reference_model_CO.py +41 -0
  55. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/explore_beta_interpolation.py +49 -0
  56. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/flux_performance.py +54 -0
  57. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/ng_acceleration_performance.py +56 -0
  58. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/numba_staticmethod_vs_function.py +45 -0
  59. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/numba_test_class.py +45 -0
  60. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/parallelisation.py +110 -0
  61. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/parallelisation_playground.py +40 -0
  62. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/radex_test_preformance.inp +13 -0
  63. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/radex_vs_pythonradex_performance.py +173 -0
  64. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/run_cloud.py +74 -0
  65. pythonradex-1.0.0/manual_tests_and_benchmarks/performance_tests/run_cloud_grid.py +47 -0
  66. pythonradex-1.0.0/pyproject.toml +30 -0
  67. pythonradex-1.0.0/src/pythonradex/LAMDA_file.py +129 -0
  68. pythonradex-1.0.0/src/pythonradex/__about__.py +4 -0
  69. pythonradex-1.0.0/src/pythonradex/__init__.py +4 -0
  70. pythonradex-1.0.0/src/pythonradex/atomic_transition.py +351 -0
  71. pythonradex-1.0.0/src/pythonradex/escape_probability.py +119 -0
  72. pythonradex-1.0.0/src/pythonradex/escape_probability_functions.py +198 -0
  73. pythonradex-1.0.0/src/pythonradex/flux.py +209 -0
  74. pythonradex-1.0.0/src/pythonradex/helpers.py +69 -0
  75. pythonradex-1.0.0/src/pythonradex/molecule.py +360 -0
  76. pythonradex-1.0.0/src/pythonradex/radiative_transfer.py +548 -0
  77. pythonradex-1.0.0/src/pythonradex/rate_equations.py +308 -0
  78. pythonradex-1.0.0/tests/LAMDA_files/c+.dat +96 -0
  79. pythonradex-1.0.0/tests/LAMDA_files/c.dat +96 -0
  80. pythonradex-1.0.0/tests/LAMDA_files/c_wrong_frequencies.dat +97 -0
  81. pythonradex-1.0.0/tests/LAMDA_files/cn.dat +1023 -0
  82. pythonradex-1.0.0/tests/LAMDA_files/co.dat +1753 -0
  83. pythonradex-1.0.0/tests/LAMDA_files/co_no_frequencies.dat +1754 -0
  84. pythonradex-1.0.0/tests/LAMDA_files/co_with_additional_comments.dat +1787 -0
  85. pythonradex-1.0.0/tests/LAMDA_files/cs.dat +962 -0
  86. pythonradex-1.0.0/tests/LAMDA_files/hcl.dat +534 -0
  87. pythonradex-1.0.0/tests/LAMDA_files/hcn.dat +443 -0
  88. pythonradex-1.0.0/tests/LAMDA_files/hcn@hfs.dat +392 -0
  89. pythonradex-1.0.0/tests/LAMDA_files/hco+.dat +551 -0
  90. pythonradex-1.0.0/tests/LAMDA_files/o.dat +117 -0
  91. pythonradex-1.0.0/tests/LAMDA_files/ocs@xpol.dat +5072 -0
  92. pythonradex-1.0.0/tests/LAMDA_files/oh@hfs.dat +704 -0
  93. pythonradex-1.0.0/tests/LAMDA_files/oh@hfs_modified.dat +705 -0
  94. pythonradex-1.0.0/tests/LAMDA_files/so@lique.dat +4510 -0
  95. pythonradex-1.0.0/tests/RADEX_test_cases/compute_RADEX_reference_models.py +64 -0
  96. pythonradex-1.0.0/tests/RADEX_test_cases.py +54 -0
  97. pythonradex-1.0.0/tests/test_LAMDA_file.py +105 -0
  98. pythonradex-1.0.0/tests/test_LTE.py +75 -0
  99. pythonradex-1.0.0/tests/test_atomic_transition.py +316 -0
  100. pythonradex-1.0.0/tests/test_dust.py +95 -0
  101. pythonradex-1.0.0/tests/test_escape_probability.py +39 -0
  102. pythonradex-1.0.0/tests/test_escape_probability_functions.py +120 -0
  103. pythonradex-1.0.0/tests/test_flux.py +500 -0
  104. pythonradex-1.0.0/tests/test_helpers.py +26 -0
  105. pythonradex-1.0.0/tests/test_molecule.py +447 -0
  106. pythonradex-1.0.0/tests/test_negative_optical_depth.py +37 -0
  107. pythonradex-1.0.0/tests/test_overlapping_lines.py +139 -0
  108. pythonradex-1.0.0/tests/test_radiative_transfer.py +670 -0
  109. pythonradex-1.0.0/tests/test_rate_equations.py +543 -0
  110. pythonradex-1.0.0/tests/test_vs_RADEX.py +158 -0
  111. pythonradex-1.0.0/virt_env3.10/.gitignore +2 -0
  112. pythonradex-1.0.0/virt_env3.10/bin/activate +83 -0
  113. pythonradex-1.0.0/virt_env3.10/bin/activate.csh +55 -0
  114. pythonradex-1.0.0/virt_env3.10/bin/activate.fish +100 -0
  115. pythonradex-1.0.0/virt_env3.10/bin/activate.nu +41 -0
  116. pythonradex-1.0.0/virt_env3.10/bin/activate.ps1 +60 -0
  117. pythonradex-1.0.0/virt_env3.10/bin/activate_this.py +32 -0
  118. pythonradex-1.0.0/virt_env3.10/bin/deactivate.nu +11 -0
  119. pythonradex-1.0.0/virt_env3.10/bin/f2py +8 -0
  120. pythonradex-1.0.0/virt_env3.10/bin/numba +8 -0
  121. pythonradex-1.0.0/virt_env3.10/bin/numpy-config +8 -0
  122. pythonradex-1.0.0/virt_env3.10/bin/pip +8 -0
  123. pythonradex-1.0.0/virt_env3.10/bin/pip-3.10 +8 -0
  124. pythonradex-1.0.0/virt_env3.10/bin/pip3 +8 -0
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  128. pythonradex-1.0.0/virt_env3.10/bin/python +1 -0
  129. pythonradex-1.0.0/virt_env3.10/bin/python3 +1 -0
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  153. pythonradex-1.0.0/virt_env3.12/.gitignore +2 -0
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  158. pythonradex-1.0.0/virt_env3.12/bin/activate.nu +41 -0
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  161. pythonradex-1.0.0/virt_env3.12/bin/deactivate.nu +11 -0
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  780. pythonradex-1.0.0/virt_env_testPyPI/pyvenv.cfg +8 -0
@@ -0,0 +1,125 @@
1
+ # Byte-compiled / optimized / DLL files
2
+ __pycache__/
3
+ *.py[cod]
4
+ *$py.class
5
+
6
+ # C extensions
7
+ *.so
8
+
9
+ # Distribution / packaging
10
+ .Python
11
+ env/
12
+ build/
13
+ develop-eggs/
14
+ dist/
15
+ downloads/
16
+ eggs/
17
+ .eggs/
18
+ lib/
19
+ lib64/
20
+ parts/
21
+ sdist/
22
+ var/
23
+ wheels/
24
+ *.egg-info/
25
+ .installed.cfg
26
+ *.egg
27
+
28
+ # PyInstaller
29
+ # Usually these files are written by a python script from a template
30
+ # before PyInstaller builds the exe, so as to inject date/other infos into it.
31
+ *.manifest
32
+ *.spec
33
+
34
+ # Installer logs
35
+ pip-log.txt
36
+ pip-delete-this-directory.txt
37
+
38
+ # Unit test / coverage reports
39
+ htmlcov/
40
+ .tox/
41
+ .coverage
42
+ .coverage.*
43
+ .cache
44
+ nosetests.xml
45
+ coverage.xml
46
+ *.cover
47
+ .hypothesis/
48
+
49
+ # Translations
50
+ *.mo
51
+ *.pot
52
+
53
+ # Django stuff:
54
+ *.log
55
+ local_settings.py
56
+
57
+ # Flask stuff:
58
+ instance/
59
+ .webassets-cache
60
+
61
+ # Scrapy stuff:
62
+ .scrapy
63
+
64
+ # Sphinx documentation
65
+ docs/_build/
66
+ #Gianni added:
67
+ docs/__static/
68
+ docs/_templates/
69
+
70
+
71
+ # PyBuilder
72
+ target/
73
+
74
+ # Jupyter Notebook
75
+ .ipynb_checkpoints
76
+
77
+ # pyenv
78
+ .python-version
79
+
80
+ # celery beat schedule file
81
+ celerybeat-schedule
82
+
83
+ # SageMath parsed files
84
+ *.sage.py
85
+
86
+ # dotenv
87
+ .env
88
+
89
+ # virtualenv
90
+ .venv
91
+ venv/
92
+ ENV/
93
+ virt_env/
94
+
95
+ # Spyder project settings
96
+ .spyderproject
97
+ .spyproject
98
+
99
+ # Rope project settings
100
+ .ropeproject
101
+
102
+ # mkdocs documentation
103
+ /site
104
+
105
+ # mypy
106
+ .mypy_cache/
107
+
108
+ # Gianni stuff
109
+ tests/RADEX_test_cases/*.out
110
+ tests/RADEX_test_cases/radex.in
111
+ tests/Radex
112
+ manual_tests_and_benchmarks/lime/lime-master
113
+ manual_tests_and_benchmarks/lime/template_model.c
114
+ manual_tests_and_benchmarks/molpop-cep_benchmark/Gianni_models/*.out
115
+ manual_tests_and_benchmarks/molpop-cep_benchmark/molpop
116
+ manual_tests_and_benchmarks/molpop-cep_benchmark/molpop-cep-master
117
+ TODO.txt
118
+ documents
119
+ manual_tests_and_benchmarks/benchmarking_vs_RADEX_and_LIME/*.fits
120
+ **/radex.out
121
+ .pytest_cache
122
+ manual_tests_and_benchmarks/performance_tests/radex_test_performance.out
123
+ virtenv_cheatsheet.txt
124
+ pytest_cheatsheet.txt
125
+ testPyPi_instructions.txt
@@ -0,0 +1,22 @@
1
+ # .readthedocs.yaml
2
+ # Read the Docs configuration file
3
+ # See https://docs.readthedocs.io/en/stable/config-file/v2.html for details
4
+
5
+ # Required
6
+ version: 2
7
+
8
+ # Set the version of Python and other tools you might need
9
+ build:
10
+ os: ubuntu-22.04
11
+ tools:
12
+ python: "3.11"
13
+
14
+ # Build documentation in the docs/ directory with Sphinx
15
+ sphinx:
16
+ configuration: docs/conf.py
17
+
18
+ # We recommend specifying your dependencies to enable reproducible builds:
19
+ # https://docs.readthedocs.io/en/stable/guides/reproducible-builds.html
20
+ python:
21
+ install:
22
+ - requirements: docs/requirements.txt
@@ -0,0 +1,21 @@
1
+ MIT License
2
+
3
+ Copyright (c) 2017 Gianni Cataldi
4
+
5
+ Permission is hereby granted, free of charge, to any person obtaining a copy
6
+ of this software and associated documentation files (the "Software"), to deal
7
+ in the Software without restriction, including without limitation the rights
8
+ to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
9
+ copies of the Software, and to permit persons to whom the Software is
10
+ furnished to do so, subject to the following conditions:
11
+
12
+ The above copyright notice and this permission notice shall be included in all
13
+ copies or substantial portions of the Software.
14
+
15
+ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
16
+ IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
17
+ FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
18
+ AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
19
+ LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
20
+ OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
21
+ SOFTWARE.
@@ -0,0 +1 @@
1
+ include README.txt
@@ -0,0 +1,28 @@
1
+ Metadata-Version: 2.4
2
+ Name: pythonradex
3
+ Version: 1.0.0
4
+ Summary: 1D non-LTE radiative transfer
5
+ Project-URL: Documentation, https://pythonradex.readthedocs.io/en/latest/
6
+ Project-URL: Issues, https://github.com/gica3618/pythonradex/issues
7
+ Project-URL: Source, https://github.com/gica3618/pythonradex
8
+ Author-email: Gianni Cataldi <cataldi.gia@gmail.com>
9
+ License-Expression: MIT
10
+ License-File: LICENSE.txt
11
+ Keywords: non-LTE,radex,radiative transfer
12
+ Classifier: Development Status :: 4 - Beta
13
+ Classifier: Programming Language :: Python
14
+ Classifier: Programming Language :: Python :: 3.10
15
+ Classifier: Programming Language :: Python :: 3.11
16
+ Classifier: Programming Language :: Python :: 3.12
17
+ Classifier: Programming Language :: Python :: 3.13
18
+ Requires-Python: >=3.10
19
+ Requires-Dist: numba>=0.61.0
20
+ Requires-Dist: numpy>=2.0
21
+ Requires-Dist: scipy>=1.14
22
+ Description-Content-Type: text/plain
23
+
24
+ pythonradex solves the 1D non-LTE radiative transfer for a homogeneous medium. It is a tool to quickly estimate the radiation from an astrophysical gas. It also provides a convenient function to read data files from the LAMDA database. pythonradex is a python re-implementation of the RADEX code, with additional functionality not included in RADEX (treatment of overlapping lines, treatment of dust continuum, output of spectra,...)
25
+
26
+ For more details, please refer to the documentation: http://pythonradex.readthedocs.io/
27
+
28
+ pythonradex is written and maintained by Gianni Cataldi
@@ -0,0 +1,2 @@
1
+ see https://www.pyopensci.org/python-package-guide/tutorials/publish-pypi.html
2
+
@@ -0,0 +1,5 @@
1
+ pythonradex solves the 1D non-LTE radiative transfer for a homogeneous medium. It is a tool to quickly estimate the radiation from an astrophysical gas. It also provides a convenient function to read data files from the LAMDA database. pythonradex is a python re-implementation of the RADEX code, with additional functionality not included in RADEX (treatment of overlapping lines, treatment of dust continuum, output of spectra,...)
2
+
3
+ For more details, please refer to the documentation: http://pythonradex.readthedocs.io/
4
+
5
+ pythonradex is written and maintained by Gianni Cataldi
@@ -0,0 +1,66 @@
1
+ API
2
+ =====
3
+
4
+ .. _rad_trans_API:
5
+
6
+ The ``Cloud`` class
7
+ ------------------------------------
8
+ The core of ``pyhonradex`` is the ``Cloud`` class which is used to solve the radiative transfer.
9
+
10
+ .. autoclass:: pythonradex.radiative_transfer.Cloud
11
+ :members: __init__, update_parameters, solve_radiative_transfer, fluxes_of_individual_transitions, tau_nu, spectrum, model_grid, print_results
12
+
13
+ .. _read_LAMDA_API:
14
+
15
+ Reading LAMDA files
16
+ -------------------------
17
+ ``pyhonradex`` provides a convenient function in the ``LAMDA_file`` module to read files from the LAMDA database:
18
+
19
+ .. autofunction:: pythonradex.LAMDA_file.read
20
+
21
+ .. _atomic_transition_API:
22
+
23
+ Representation of molecular levels and transitions
24
+ ---------------------------------------------------------
25
+ ``pyhonradex`` contains a number of classes to represent molecular data such as the energy levels and transitions between these levels. The molecular data is typically read from a `LAMDA file <https://home.strw.leidenuniv.nl/~moldata>`_.
26
+
27
+ .. autoclass:: pythonradex.atomic_transition.Level
28
+ :members:
29
+
30
+ .. autoclass:: pythonradex.atomic_transition.RadiativeTransition
31
+ :members: Tex
32
+
33
+ .. autoclass:: pythonradex.atomic_transition.EmissionLine
34
+ :members: Tex,tau_nu0,tau_nu
35
+
36
+ .. autoclass:: pythonradex.atomic_transition.CollisionalTransition
37
+ :members: Tex,coeffs
38
+
39
+ .. _Molecule_API:
40
+
41
+ .. autoclass:: pythonradex.molecule.Molecule
42
+ :members: __init__, LTE_level_pop
43
+
44
+ .. autoclass:: pythonradex.molecule.EmittingMolecule
45
+ :members: __init__, get_tau_nu0_lines, get_tau_nu0_lines_LTE, get_Tex
46
+
47
+ .. _line_profiles_API:
48
+
49
+ Representation of line profiles
50
+ ---------------------------------
51
+ ``pyhonradex`` allows two types of line profiles: Gaussian and rectangular. These are represented by the following classes.
52
+
53
+ .. autoclass:: pythonradex.atomic_transition.GaussianLineProfile
54
+ :members: phi_nu,phi_v
55
+
56
+ .. autoclass:: pythonradex.atomic_transition.RectangularLineProfile
57
+ :members: phi_nu,phi_v
58
+
59
+ .. _helpers_API:
60
+
61
+ Convenience functions
62
+ --------------------------
63
+ The ``helpers`` module provides a number of convenience functions.
64
+
65
+ .. automodule:: pythonradex.helpers
66
+ :members: B_nu,generate_CMB_background,FWHM2sigma
@@ -0,0 +1,20 @@
1
+ # Minimal makefile for Sphinx documentation
2
+ #
3
+
4
+ # You can set these variables from the command line, and also
5
+ # from the environment for the first two.
6
+ SPHINXOPTS ?=
7
+ SPHINXBUILD ?= sphinx-build
8
+ SOURCEDIR = .
9
+ BUILDDIR = _build
10
+
11
+ # Put it first so that "make" without argument is like "make help".
12
+ help:
13
+ @$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
14
+
15
+ .PHONY: help Makefile
16
+
17
+ # Catch-all target: route all unknown targets to Sphinx using the new
18
+ # "make mode" option. $(O) is meant as a shortcut for $(SPHINXOPTS).
19
+ %: Makefile
20
+ @$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
@@ -0,0 +1,3 @@
1
+ Citation
2
+ ===================
3
+ If you use ``pythonradex`` in your research, please cite XXXXXXXXXXXXXXXXXXXXXXXXXXX
@@ -0,0 +1,77 @@
1
+ # Configuration file for the Sphinx documentation builder.
2
+ #
3
+ # This file only contains a selection of the most common options. For a full
4
+ # list see the documentation:
5
+ # https://www.sphinx-doc.org/en/master/usage/configuration.html
6
+
7
+ # -- Path setup --------------------------------------------------------------
8
+
9
+ # If extensions (or modules to document with autodoc) are in another directory,
10
+ # add these directories to sys.path here. If the directory is relative to the
11
+ # documentation root, use os.path.abspath to make it absolute, like shown here.
12
+ #
13
+ import os
14
+ import sys
15
+ sys.path.insert(0, os.path.abspath('..'))
16
+
17
+ #Gianni:
18
+ sys.path.append(os.path.abspath('../src'))
19
+ #take some info from pyproject.toml:
20
+ from sphinx_pyproject import SphinxConfig
21
+ config = SphinxConfig("../pyproject.toml", globalns=globals())
22
+
23
+
24
+ # -- Project information -----------------------------------------------------
25
+
26
+ project = config.name
27
+ copyright = '2025, Gianni Cataldi'
28
+ author = config.author
29
+
30
+ # The full version, including alpha/beta/rc tags
31
+ release = version = config.version
32
+
33
+
34
+ # -- General configuration ---------------------------------------------------
35
+
36
+ # Add any Sphinx extension module names here, as strings. They can be
37
+ # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
38
+ # ones.
39
+ extensions = [
40
+ 'sphinx.ext.autodoc',
41
+ 'sphinx.ext.mathjax',
42
+ 'sphinx_rtd_theme',
43
+ "nbsphinx",
44
+ "sphinx.ext.napoleon"
45
+ ]
46
+
47
+ # Add any paths that contain templates here, relative to this directory.
48
+ templates_path = ['_templates']
49
+
50
+ # List of patterns, relative to source directory, that match files and
51
+ # directories to ignore when looking for source files.
52
+ # This pattern also affects html_static_path and html_extra_path.
53
+ exclude_patterns = ['_build', 'Thumbs.db', '.DS_Store']
54
+
55
+
56
+ # -- Options for HTML output -------------------------------------------------
57
+
58
+ # The theme to use for HTML and HTML Help pages. See the documentation for
59
+ # a list of builtin themes.
60
+ #
61
+ html_theme = 'sphinx_rtd_theme'
62
+
63
+ # Add any paths that contain custom static files (such as style sheets) here,
64
+ # relative to this directory. They are copied after the builtin static files,
65
+ # so a file named "default.css" will overwrite the builtin "default.css".
66
+ html_static_path = ['_static']
67
+
68
+ #Gianni additions
69
+ autodoc_member_order = 'bysource'
70
+
71
+ html_context = {
72
+ "display_github": True, # Integrate GitHub
73
+ "github_user": "gica3618", # Username
74
+ "github_repo": "pythonradex", # Repo name
75
+ "github_version": "master", # Version
76
+ "conf_py_path": "/docs/", # Path in the checkout to the docs root
77
+ }
@@ -0,0 +1,30 @@
1
+ Differences between ``pythonradex`` and ``RADEX``
2
+ ------------------------------------------------------
3
+
4
+ Overlapping lines and continuum
5
+ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
6
+ ``pythonradex`` is able to handle excitation effects of overlapping lines (i.e. lines that are so close in frequency that photons emitted from one line can be absorbed by another line). ``pythonradex`` is also able to include effects of an internal radiation field specified by the user (typically arising from dust that is mixed with the gas). Both of these effects are not included in ``RADEX``.
7
+
8
+ Programming language and performance
9
+ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
10
+ While ``RADEX`` is written in Fortran, ``pythonradex`` is written in python. Fortran is generally much faster than python. Still, in the typical use case of calculating several models over a grid of parameters (e.g. column density, temperature), ``pythonradex`` can outperform RADEX by a factor of a few, depending on the input parameters. This is achieved by an architecture that avoids unnecessary or repeating calculations as much as possible and just-in-time compilation using the `numba <https://numba.readthedocs.io>`_ package.
11
+
12
+ Different output
13
+ ^^^^^^^^^^^^^^^^^^^^^^
14
+ There is a difference between the outputs of ``RADEX`` and ``pythonradex``. The ``RADEX`` output :math:`T_R` (or the corresponding flux outputs) is intended to be directly compared to telescope data. To be more specific, from the computed optical depth and excitation temperature, ``RADEX`` first computes :math:`I_\mathrm{tot} = B_\nu(T_\mathrm{ex})(1-e^{-\tau_\nu}) + I_\mathrm{bg}e^{-\tau_\nu}`, i.e. the total intensity at the line centre that is recorded at the telescope, where :math:`I_\mathrm{bg}` is the background radiation. This is the sum of the radiation from the gas (first term) and the background radiation attenuated by the gas (second term). From this, ``RADEX`` assumes the observer has subtracted the background, giving :math:`I_\mathrm{measured} = I_\mathrm{tot} - I_\mathrm{bg} = (B_\nu(T_\mathrm{ex})-I_\mathrm{bg})(1-e^{-\tau_\nu})`. The ``RADEX`` output :math:`T_R` is the Rayleigh-Jeans temperature corresponding to :math:`I_\mathrm{measured}`. This output may or may not be the right quantity to be compared to observations. For example, it is almost certainly not appropriate to be compared to interferometric data. On the other hand, ``pythonradex`` outputs the pure line flux without any background subtraction, i.e. the output corresponds simply to the flux emitted by the gas (for a slab geometry, that would simply be :math:`B_\nu(T_\mathrm{ex})(1-e^{-\tau_\nu}))`. This allows the user to decide how the flux should be compared to observations, which depends on the telescope etc.
15
+
16
+ .. _sphere_flux_difference:
17
+
18
+ Different flux for spherical geometry
19
+ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
20
+ For a given excitation temperature :math:`T_{ex}` and optical depth :math:`\tau_\nu`, ``RADEX`` calculates the flux as
21
+
22
+ .. math::
23
+ I_\nu = B_\nu(T_{ex})(1-e^{-\tau_\nu})
24
+
25
+ for all geometries. However, this expression is only valid for slab geometries, but not for spherical geometries ("uniform sphere" and "LVG sphere"). On the other hand, ``pythonradex`` uses the correct formulae for spherical geometries (see the :ref:`section about geometries<geometries>` for more details). This can for example be demonstrated by considering the optically thin limit. In this limit, each photon escapes from the cloud. The total flux (in [W/m\ :sup:`2`]) is then simply given by
26
+
27
+ .. math::
28
+ F_\mathrm{thin} = V_\mathrm{sphere}nx_2A_{21}\Delta E \frac{1}{4\pi d^2}
29
+
30
+ where :math:`V_\mathrm{sphere}=\frac{4}{3}R^3\pi` is the volume of the sphere, :math:`n` the constant number density, :math:`x_2` the fractional level population of the upper level, :math:`A_{21}` the Einstein coefficient, :math:`\Delta E` the energy difference between the upper and lower level, and :math:`d` the distance of the source. ``pythonradex`` correctly reproduces this limiting case. On the other hand, ``RADEX`` overestimates the optically thin flux by a factor 1.5.
@@ -0,0 +1,16 @@
1
+ .. _examples:
2
+
3
+ Examples
4
+ =============
5
+
6
+ .. toctree::
7
+ :maxdepth: 1
8
+
9
+ notebooks/get_started
10
+ notebooks/simple_example
11
+ notebooks/grid_search
12
+ notebooks/optically_thick_spectrum
13
+ notebooks/overlapping_lines
14
+ notebooks/LVG_geometry
15
+ notebooks/continuum_effects
16
+ notebooks/reading_LAMDA_files
@@ -0,0 +1,11 @@
1
+ FAQ
2
+ ==========
3
+
4
+ How should negative optical depth be interpreted?
5
+ ----------------------------------------------------------
6
+
7
+ As discussed by [vanderTak07]_, for certain parameters ("especially low density and/or strong radiation field", to quote [vanderTak07]_), negative optical depth can arise due to a level population inversion. This requires non-local treatement of the radiative transfer, which is not possible with ``pyhonradex``. The results should still be valid, though less accurate, for optical depths only slightly negative (:math:`\tau_\nu\gtrsim-0.1`). However, the results for more strongly negative optical depths should be ignored ([vanderTak07]_). ``pyhonradex`` provides an option to print a warning if the solution contains negative optical depths using the ``warn_negative_tau`` parameter of the :ref:`Cloud class <rad_trans_API>`.
8
+
9
+ I get an "Underlying object has vanished" error
10
+ ------------------------------------------------------
11
+ This probably indicates a problem with the caching of the ``numba``-compiled functions used by ``pyhonradex``. Deleting the __pycache__ folder should solve the issue.
@@ -0,0 +1,98 @@
1
+ .. _geometries:
2
+
3
+ Cloud geometries
4
+ ======================
5
+
6
+ The calculations of the escape probability and the emerging flux depend on the adopted geometry. Below we give an overview of the geometries available in ``pyhonradex``. For all geometries, we assume a homogeneous medium (i.e. constant number density). For convenience, the escape probabilities are expresses as functions of optical depth :math:`\tau_\nu` rather than the absorption coefficient :math:`\alpha_\nu`.
7
+
8
+ Uniform sphere
9
+ ----------------------
10
+ A homogeneous, static sphere. The escape probability is given in [Osterbrock74]_:
11
+
12
+ .. math::
13
+ :name: eq:beta_uniform_sphere
14
+
15
+ \beta(\tau_\nu) = \frac{3}{2\tau_\nu}\left(1-\frac{2}{\tau_\nu^2}+\left(\frac{2}{\tau_\nu}+\frac{2}{\tau_\nu^2}\right) e^{-\tau_\nu}\right)
16
+
17
+ where :math:`\tau_\nu` is the optical depth of the diameter of the sphere. The observed flux (in [W/m\ :sup:`2`/Hz]) can also be calculated from [Osterbrock74]_ and is given by:
18
+
19
+ .. math::
20
+
21
+ F_\nu = \frac{2B_\nu(T_\mathrm{ex})\Omega}{\tau_\nu^2}\left(\frac{\tau_\nu^2}{2}-1+(\tau_\nu+1)e^{-\tau_\nu}\right)
22
+
23
+ where :math:`B_\nu(T_\mathrm{ex})` is the Planck function evaluated at the excitation temperature :math:`T_\mathrm{ex}`, :math:`\Omega` is the solid angle of the source (given by :math:`\Omega=R^2\pi/d^2` with :math:`R` the radius of the sphere and :math:`d` the distance of the source). Note that ``RADEX`` calculates the flux with the formula for a slab geometry, which is incorrect. See :doc:`difference_pythonradex_RADEX` for more details.
24
+
25
+ Uniform slab
26
+ ----------------------
27
+ A homogeneous, static slab. The escape probability is given by (e.g. [Elitzur92]_):
28
+
29
+ .. math::
30
+
31
+ \beta(\tau_\nu) = \frac{\int_0^1 (1-e^{-\tau_\nu/\mu})\mu\mathrm{d}\mu}{\tau_\nu}
32
+
33
+ The observed flux (in [W/m\ :sup:`2`/Hz]) is given by:
34
+
35
+ .. math::
36
+ :name: eq:flux_uniform_slab
37
+
38
+ F_\nu = B_\nu(T_\mathrm{ex})(1-e^{-\tau_\nu})\Omega
39
+
40
+ where :math:`\Omega` is the solid angle of the emitting region.
41
+
42
+
43
+ LVG sphere
44
+ -------------------
45
+ The Large Velocity Gradient (LVG) approximation is applicable if the characteristic flow velocity along the line of sight is much larger than the local random (e.g. thermal) velocities (e.g. [Scoville74]_, [Elitzur92]_). Here, we consider the model by [Goldreich74]_: A homogeneous sphere with a constant, radial velocity gradient :math:`\mathrm{d}v/\mathrm{d}r=V/R` where :math:`V` is the velocity at the sphere surface and :math:`R` is the radius of the sphere. The escape probability is given by
46
+
47
+ .. math::
48
+ :name: eq:beta_LVG_sphere
49
+
50
+ \beta(\tau) = \frac{1-e^{-\tau}}{\tau}
51
+
52
+ Note that here, :math:`\tau` is the optical depth of the diameter of the sphere, and is constant in the interval :math:`[-V,V]` (and zero outside). The observed flux can be derived by using an approach similar to [deJong75]_. It is given by
53
+
54
+ .. math::
55
+
56
+ F_\nu = B_\nu(T_\mathrm{ex})(1-e^{-\tau})\Omega\left(1-\frac{v^2}{V^2}\right)
57
+
58
+ where :math:`v=c(1-\nu/\nu_0)` with :math:`c` the speed of light and :math:`\nu_0` the rest frequency. As in the case of the static sphere, also for the LVG sphere ``RADEX`` incorrectly uses the formula for a slab geometry to calculate the flux (see :doc:`difference_pythonradex_RADEX` for more details).
59
+
60
+
61
+ LVG slab
62
+ -------------------
63
+ Here we consider a homogeneous slab with a constant velocity gradient :math:`\mathrm{d}v/\mathrm{d}z`, where :math:`z` is the coordinate perpendicular to the slab surface, along the line of sight. The escape probability is given by [Scoville74]_ as
64
+
65
+ .. math::
66
+
67
+ \beta(\tau) = \frac{1-e^{-3\tau}}{3\tau}
68
+
69
+ Here again, :math:`\tau` is the constant optical depth over the velocity interval with a width given by :math:`\frac{\mathrm{d}v}{\mathrm{d}z}Z` with :math:`Z` the total depth of the slab. The flux is given by the same formula as for the uniform slab.
70
+
71
+ Geometries emulating ``RADEX``
72
+ -------------------------------------
73
+ Mainly for test and legacy purposes, ``pythonradex`` offers two additional geometries that emulate the behaviour of ``RADEX``.
74
+
75
+ Uniform sphere RADEX
76
+ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
77
+ This geometry uses the same formula (:ref:`Eq. 1 <eq:beta_uniform_sphere>`) for the escape probability as the uniform sphere, but uses the formula (:ref:`Eq. 2 <eq:flux_uniform_slab>`) for the uniform slab to calculate the flux.
78
+
79
+
80
+ LVG sphere RADEX
81
+ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
82
+ The paper describing ``RADEX`` ([vanderTak07]_) says that ``RADEX`` uses the formula given in :ref:`Eq. 3 <eq:beta_LVG_sphere>` to calculate the escape probability of an LVG sphere. However, by inspecting the ``RADEX`` source code, it is found that at least the current version uses a different formula that seems to be based on [deJong80]_. It is given by
83
+
84
+ .. math::
85
+
86
+ \beta(\tau) = \frac{1}{\tau_\nu\sqrt{\ln(\tau_\nu/(2\sqrt{\pi}))}} \qquad \text{if } \tau_\nu\geq 7
87
+
88
+ and
89
+
90
+ .. math::
91
+
92
+ \beta(\tau) = \frac{4-4e^{-2.34\tau_\nu/2}}{4.68\tau_\nu} \qquad \text{if } \tau_\nu< 7
93
+
94
+ Thus, the geometry "LVG sphere RADEX" uses this formula. For the flux, it uses the same formula (:ref:`Eq. 2 <eq:flux_uniform_slab>`) as for the uniform slab (despite the spherical geometry).
95
+
96
+ The line width parameter ``width_v``
97
+ ------------------------------------------
98
+ It is immportant to understand the different interpretations of the input parameter ``width_v`` used by ``pythonradex`` (see :ref:`API of the Cloud class <rad_trans_API>`). For static geometries, this refers to the local emission width (typically the thermal width). ``pythonradex`` allows two kinds of local emission profiles (parameter ``line_profile_type``): "Gaussian" (in which case ``width_v`` refers to the FWHM) and "rectangular". On the other hand, for the LVG geometries ("LVG sphere" and "LVG slab"), ``width_v`` refers to the global velocity width of the cloud. For the "LVG sphere", ``width_v`` is equal to :math:`2V` (with :math:`V` the velocity at the sphere surface). For the "LVG slab", ``width_v`` equals :math:`\mathrm{d}v/\mathrm{d}zZ` (with :math:`Z` the depth of the slab and :math:`\mathrm{d}v/\mathrm{d}z` the constant velocity gradient). For these geometries, the parameter ``line_profile_type`` needs to be set to "rectangular". This ensures that the optical depth is calculated correctly.
@@ -0,0 +1,4 @@
1
+ Help / Bug reports
2
+ =======================
3
+
4
+ For questions or bug reports, please open an issue at `<https://github.com/gica3618/pythonradex/issues>`_.
@@ -0,0 +1,69 @@
1
+ .. pythonradex documentation master file, created by
2
+ sphinx-quickstart on Thu Dec 7 13:57:20 2017.
3
+ You can adapt this file completely to your liking, but it should at least
4
+ contain the root `toctree` directive.
5
+
6
+ Welcome to the ``pyhonradex`` documentation!
7
+ =================================================
8
+
9
+ ``pythonradex`` solves the radiative transfer for a uniform medium in non-LTE with an escape probability formalism. The code can be used to quickly estimate the emission from an astrophysical gas given input parameters such as the kinetic temperature, the column density and the density of the collision partners.
10
+
11
+ ``pythonradex`` is a python re-implementation of the RADEX code [vanderTak07]_. It is generally faster than RADEX (when calculating a grid of models) and provides additional functionality that is not included in RADEX (treatment of overlapping lines, treatment of internal dust continuum, output of spectra,...).
12
+
13
+ ``pyhonradex`` also provides a convenient method to read files from the LAMDA_ database.
14
+
15
+ Please see the :ref:`example notebooks<examples>` for an overview of the functionalities offered by ``pythonradex``.
16
+
17
+
18
+ .. toctree::
19
+ :maxdepth: 2
20
+ :caption: Contents:
21
+
22
+ installation
23
+ examples
24
+ theory
25
+ geometry
26
+ difference_pythonradex_RADEX
27
+ faq
28
+ help
29
+ API
30
+ citation
31
+
32
+
33
+
34
+ Acknowledgement
35
+ =================
36
+ I would like to thank Simon Bruderer for his helpful clarifications about the ALI method. I also thank Andrés Asensio Ramos for helpful discussions about the LVG geometry and help with the `MOLPOP-CEP` code that was used to benchmark `pythonradex`.
37
+
38
+
39
+ Bibliography
40
+ =================
41
+
42
+ .. [deJong80] de Jong, T., Boland, W., & Dalgarno, A. 1980, Astronomy and Astrophysics, 91, 68
43
+
44
+ .. [deJong75] de Jong, T., Chu, S., & Dalgarno, A. 1975, Astrophysical Journal, 199, 69
45
+
46
+ .. [Elitzur92] Elitzur, M. 1992, *Astronomical masers*, ISBN 978-0-7923-1217-8, Springer Dordrecht
47
+
48
+ .. [Goldreich74] Goldreich, P., & Kwan, J. 1974, Astrophysical Journal, 189, 441
49
+
50
+ .. [Hubeny03] Hubeny, I. 2003, Accelerated Lambda Iteration: An Overview. Stellar Atmosphere Modeling 288, 17
51
+
52
+ .. [Ng74] Ng, K.-C. 1974, Journal of Chemical Physics, 61, 2680
53
+
54
+ .. [Osterbrock74] Osterbrock, D. E. 1974, *Astrophysics of Gaseous Nebulae*, ISBN 0-716-70348-3, W. H. Freeman
55
+
56
+ .. [Rybicki91] Rybicki, G. B., & Hummer, D. G. 1991, Astronomy and Astrophysics, 245, 171
57
+
58
+ .. [Rybicki92] Rybicki, G. B., & Hummer, D. G. 1992, Astronomy and Astrophysics, 262, 209
59
+
60
+ .. [Rybicki04] Rybicki, G. B., & Lightman, A.P. 2004, *Radiative Processes in Astrophysics*, ISBN 0-471-82759-2, Wiley-VCH
61
+
62
+ .. [Scoville74] Scoville, N. Z., & Solomon, P. M. 1991, Astrophysical Journal, 187, L67
63
+
64
+ .. [vanderTak07] van der Tak, F. F. S., Black, J. H., Schöier, F. L., Jansen, D. J., & van Dishoeck, E. F. 2007, Astronomy and Astrophysics, 468, 627
65
+
66
+
67
+ .. _RADEX: http://home.strw.leidenuniv.nl/~moldata/radex.html
68
+
69
+ .. _LAMDA: http://home.strw.leidenuniv.nl/~moldata/
@@ -0,0 +1,12 @@
1
+ Installation
2
+ =================
3
+
4
+ ``pythonradex`` is compatible with python versions 3.10 to 3.13. ``pythonradex`` can be installed with Pip or Conda:
5
+
6
+ * pip install XXXXXX
7
+
8
+ * conda XXXX
9
+
10
+ If you have any trouble installing, please raise an issue `here <https://github.com/gica3618/pythonradex/issues>`_.
11
+
12
+ The ``pythonradex`` code is publicly available on `github <https://github.com/gica3618/pythonradex>`_.
@@ -0,0 +1,35 @@
1
+ @ECHO OFF
2
+
3
+ pushd %~dp0
4
+
5
+ REM Command file for Sphinx documentation
6
+
7
+ if "%SPHINXBUILD%" == "" (
8
+ set SPHINXBUILD=sphinx-build
9
+ )
10
+ set SOURCEDIR=.
11
+ set BUILDDIR=_build
12
+
13
+ if "%1" == "" goto help
14
+
15
+ %SPHINXBUILD% >NUL 2>NUL
16
+ if errorlevel 9009 (
17
+ echo.
18
+ echo.The 'sphinx-build' command was not found. Make sure you have Sphinx
19
+ echo.installed, then set the SPHINXBUILD environment variable to point
20
+ echo.to the full path of the 'sphinx-build' executable. Alternatively you
21
+ echo.may add the Sphinx directory to PATH.
22
+ echo.
23
+ echo.If you don't have Sphinx installed, grab it from
24
+ echo.https://www.sphinx-doc.org/
25
+ exit /b 1
26
+ )
27
+
28
+ %SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
29
+ goto end
30
+
31
+ :help
32
+ %SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
33
+
34
+ :end
35
+ popd