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inputs.toml and support libRR intracellulars #100
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## development #100 +/- ##
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- Coverage 94.85% 94.38% -0.48%
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Files 27 29 +2
Lines 3696 3723 +27
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+ Hits 3506 3514 +8
- Misses 190 209 +19 ☔ View full report in Codecov by Sentry. |
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- create developer's guide - start using `#!` for comments to stay - this is only info in guide for now - broader use of `haskey` - `InputFolder` class now includes: `location`, `basename`, `required`, `varied`, and `path_from_inputs` - Inner constructors help initialize from just `location` + (`id` OR `folder` OR both) - `InputFolders` now a wrapper for a `NamedTuple` where the keys are locations (stored in `project_locations.all`) and the values are of type `InputFolder` - users are expected to use either the keyword arg constructor (`InputFolders(; kwargs...)`) or the parse-time defined `InputFolders(<required_locations...>; <optional_locations...>)` where the `inputs.toml` determines the parameter/keyword arg names - users could create a vector of pairs, but this is expected to be used internally - `getindex` is implemented to allow for `input_folders[:config]` to access the values of the `NamedTuple` - `VariationID` replaces `VariationIDs` and is now just a wrapper for a `NamedTuple` - handles construction of default variation ids based on the folder ID being -1 or not - `getindex` implemented to allow for `variation_id[:config]` to access the id for the config variation - better checks on instantiating `Simulation`s - make use of `project_locations` in just so many helpful ways - functions to simplify adding output types to vct.db - one function each for setting table names (`"$(loc)s"`), loc ids (`"$(loc)_id"`) and loc var ids (`"$(loc)_variation_id"`) - support for roadrunner sims! - will download roadrunner if needed and then go ahead and run the sims - checks for environment variables needed, sets in the julia runtime if need be, and helps the user to fix this - printls helpful message if not present - `locationPath` to standardize how to access `inputs` - starting to support components that containt, well, components of simulation inputs - these will live in `data/components` and can be used outside of `run` to set up different input/location folders - added `VCTComponents.jl` (though it could be renamed to `VCTIntracellularComponents.jl`) to manage combining of components together - standardize loading of input folders using `createXMLFile` - `inputs.toml` now allows users to decide on the structure of their project at runtime - rewrite of VCTDatabase using inputs.toml - `initializeVCT` replaced by `initializeModelManager` and can accept no arguments to initialize from the current directory - `make clean` only in the `temp_physicell_dir` - compilation `cmd` gets the `ENV` passed in (so the librr var can be included) and also the `temp_physicell_dir` to make sure everything is in that location - print entire compile `cmd` rather than just the `cflags` (though first get rid of the env and dir info because those make it hard to read) - on compilation failure, print the log and err to console - `prepareInputFolder` function now gives a generic interface for initializing each input - `cmd` for running the sim now has `env` and `dir` set to ensure necessary flags are passed in and that it is being run from teh PHysiCell directory - `--chdir=$(physicell_dir)` now set for `sbatch` command to make sure it is being run from that directory. still need to see if the env is being properly set there or if that requires extra attention - bundle results of `addVariations` into an `AddVariationsResult` type so those only output one thing - `sqliteDataType(ev::ElementaryVariation)` to standardize how all database types are determined - VCTComponents doc
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