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Added some example notebooks #40
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…tual line you are reading
for more information, see https://pre-commit.ci
…. Deleted extended isotope format since this is unsupported.
for more information, see https://pre-commit.ci
…re-commit.ci" happy
@along4 Thanks for fixing the issues (and apologize for not being able to review it due to other commitments) . There are still three left as reported by pre-commit:
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@KedoKudo, no worries! I had time today to work out most of the bugs before the merge. I think I am going to work on the parameters a bit more tonight and tomorrow. I would like to get an update functionality going to merge parfiles soon. |
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This pull request involves several updates to the
pleiades
project, focusing on enhancing theIsotope
andIsotopeParameters
classes, updating the SAMMY parameter file handling, and adding logging capabilities. The most important changes include adding logging, updating theIsotopeParameters
class, and modifying the SAMMY parameter file handling.Logging Enhancements:
src/pleiades/sammy/parameters/isotope.py
: Added logging initialization with file logging and replacedValueError
raises with_log_and_raise_error
to log errors before raising exceptions. [1] [2] [3] [4]Class and Method Updates:
src/pleiades/core/models.py
: Modified theIsotope
class to remove the upper limit constraint on theabundance
field.src/pleiades/sammy/parameters/isotope.py
: Updated theIsotopeParameters
class to include detailed comments and added a newwhere_am_i
variable for better logging context. [1] [2] [3]SAMMY Parameter File Handling:
src/pleiades/sammy/parameters/isotope.py
: Added notes indicating that the extended format is currently not supported and updated the spin group parsing logic. [1] [2] [3] [4] [5]src/pleiades/sammy/notes/parfile_notes.md
: Added documentation outlining the structure and usage of theparfile.py
module, including imports, logger initialization, enums, classes, and methods.Notebook Updates:
notebook/samexm/ex012/ex012a.ipynb
: Added a new Jupyter notebook based on example 12 from the SAMMY repository, including code cells for importing modules, reading SAMMY parameters, and writing them to an output file.notebook/samexm/ex012/ex012a.par
: Updated the parameter file with new data values for SAMMY parameters.