Code

Python box model#147

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K20shores merged 82 commits intomainNCAR/music-box:mainfrom python_box_modelNCAR/music-box:python_box_modelCopy head branch name to clipboardApr 9, 2024

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Commits

Commits on Feb 22, 2024

• setting up a cmake structure for c++

  K20shores

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  c78ab07

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Commits on Feb 29, 2024

• python box model iniital classes

  alexjamesgarza

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Commits on Mar 1, 2024

• added method for generating species config

  alexjamesgarza

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• added relative tolerance to spec config

  alexjamesgarza

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• added method to generate reaction config

  alexjamesgarza

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• added generateConfig documentation and todo solve function

  alexjamesgarza

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• added todo readfromjson function

  alexjamesgarza

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• added params to reaction

  alexjamesgarza

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• updated Reaction and getReactionConfig to handle A B D E and Ea paramaters

  alexjamesgarza

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• can mostly parse json file from UI

  eadlg2

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Commits on Mar 3, 2024

• implemented skeleton logic for solver

  alexjamesgarza

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• extracted concentrations and reaction rates from evolving conditions

  eadlg2

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• added initial reaction rates, need to verify

  eadlg2

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Commits on Mar 4, 2024

• made conversion functions to shorten code

  eadlg2

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Commits on Mar 20, 2024

• tested parsing with example that had every option

  eadlg2

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Commits on Mar 21, 2024

• added other reaction types and refactored some code

  eadlg2

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  a1d5370

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• fixed bug in species list

  eadlg2

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  cb8a62e

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• fixed bug in reaction list

  eadlg2

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Commits on Mar 23, 2024

• generateReactionConfig accounts for the different types of reactions

  eadlg2

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Commits on Mar 25, 2024

• added funciton to create micm solver based on config

  alexjamesgarza

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• added funciton to create micm solver based on config

  alexjamesgarza

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  156a4d0

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• working towards box model test

  alexjamesgarza

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Commits on Mar 26, 2024

• adds function to read config json and tests basic reaction

  alexjamesgarza

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• fixed solve to inc by seconds

  alexjamesgarza

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• convert time steps to seconds

  eadlg2

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• updated solve with new time units

  alexjamesgarza

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• Changed readFromJson to readFromUIJosn

  alexjamesgarza

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• convert_pressure converts to Pa now

  eadlg2

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• outputs results to file and creates file for initial test

  alexjamesgarza

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  128528b

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• reads species name from config

  alexjamesgarza

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• sets up test config and get analytical concentrations

  alexjamesgarza

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• aserts concentrations

  alexjamesgarza

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Commits on Mar 28, 2024

• fixed comment typo

  alexjamesgarza

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• fixed output outputted based on output time step

  alexjamesgarza

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• changed time in output to output step time

  alexjamesgarza

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• added hr to time conversion:

  alexjamesgarza

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• removed print stat

  alexjamesgarza

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• removed print statement

  alexjamesgarza

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• config files generatable

  eadlg2

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• Merge branch 'python_box_model' of https://github.com/NCAR/music-box into python_box_model

  eadlg2

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• initial reaction rates added to generate config

  eadlg2

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• reads species from json from camp_data

  alexjamesgarza

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• Merge branch 'python_box_model' of https://github.com/NCAR/music-box into python_box_model

  alexjamesgarza

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• box model pr

  alexjamesgarza

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• handle cases without pressure and temperature in evolving conditions for UI parsing

  eadlg2

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• Merge branch 'python_box_model' of https://github.com/NCAR/music-box into python_box_model

  eadlg2

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Commits on Apr 1, 2024

• able to recreate test config in UI, parse it, and use in python_test_1

  eadlg2

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Commits on Apr 2, 2024

• reads reaction list from config json

  alexjamesgarza

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• restructured functions

  alexjamesgarza

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  4e1d991

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• fixed missing reaction list param in from_config_JSON

  alexjamesgarza

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• can generate evolving_conditions.csv for config

  eadlg2

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• implemented species and rate ordering in solve

  alexjamesgarza

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  6e6d568

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• Merge branch 'python_box_model' of https://github.com/NCAR/music-box into python_box_model

  alexjamesgarza

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• moved where ordered arrays are computed

  alexjamesgarza

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• updated headers to match ordered array

  alexjamesgarza

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  597c508

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• fixed evolving conditions not setting attributes correctly

  alexjamesgarza

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  8cea0c8

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• fixed unit issue with pressure for setting up evolving conditions

  eadlg2

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• added reaction type prefixes in order_reaction_ratesz

  alexjamesgarza

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Commits on Apr 4, 2024

• changed evolving conditions to update in a while loop in case chem time step is greater than time between evolving conditions

  alexjamesgarza

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• updated python test 3

  alexjamesgarza

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• creates test for chapman in python_test_3.py

  alexjamesgarza

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• renamed tests to be more descriptive

  alexjamesgarza

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• added test file for wall-loss

  alexjamesgarza

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• include base values for reactions, change C back to Ea

  eadlg2

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  745d7d5

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• Merge branch 'python_box_model' of https://github.com/NCAR/music-box into python_box_model

  eadlg2

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• add species not present in initial conditions for order_species_concentration

  eadlg2

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• removed unused files

  alexjamesgarza

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  0ad1d29

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• Merge branch 'python_box_model' of https://github.com/NCAR/music-box into python_box_model

  alexjamesgarza

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  df7d99e

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• removed unused files

  alexjamesgarza

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• created .whl for music_box package

  alexjamesgarza

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Commits on Apr 6, 2024

• make sure time in evolving conditions is float

  eadlg2

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• check reaction names correctly for evolving conditions config, ensure floats for rate constants

  eadlg2

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  9663de5

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• added function to read from UI json string

  alexjamesgarza

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  b78fafc

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• Merge branch 'python_box_model' of https://github.com/NCAR/music-box into python_box_model

  alexjamesgarza

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Commits on Apr 9, 2024

• removing fortran things, using musica python module, creating installation suitable for pypi

  K20shores

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• converting tests to pytest

  K20shores

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• correcting setup python?

  K20shores

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• adding a space

  K20shores

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• strategy

  K20shores

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  9e50e85

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• installing music_box in CI

  K20shores

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• newer checkout

  K20shores

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• pypi publish

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