Glytrait

Latest version: v0.2.0

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2.0.0

**Changed**:

- `Experiment` class and CLI can accept a meta-property table instead of a
glycan structure or composition file.
This allows further cumstomization of the trait calculation.
To accommodate the change, the second argument of CLI ("glycan-file") is
now an option, and another "mp-file" option was added.
See README for details.

**Removed**:

- The `input_data` argument from `Experiment` was removed.
- The `Experiment.extract_meta_properties` method was removed.
Meta-property table is extracted from glycan structures or compositions
automatically after `Experiment` initialization.
- `load_data` and `GlyTraitInputData` were removed.

0.1.7

**Fixed:**

- Fix the bug that type checks failed when the abundance data type is integer.

0.1.6

**Changed:**

- The `Experiment` class now can be initialized from file paths directly.
The old way of initializing from a `GlyTraitInputData` instance could be done
by the keyword argument: `Experiment(input_data=input_data)`.
- The file format instructions in the Streamlit app are updated to be more clear.

0.1.5

**Added:**

- A new `try_formulas` method for `Experiment`.
This method returned the calculated derived trait DataFrame directly based on
given formula expressions.
It might be useful for glycomics EDA.
- Example data are added to the Streamlit app.

**Changed:**

- `Experiment.extract_meta_properties` method was removed for less confusion to users.
Calling `Experiment.preprocess` will automatically extract meta properties.

0.1.4

**Added:**

- Sialic acid linkage configuration in the Streamlit app.
- A spinner is shown now when the Streamlit app is running.

**Fixed:**

- Fix the bug that the "mode" configuration was ignored by the Streamlit app.

0.1.3

**Added:**

- The Streamlit app!
- A new method for the `Experiment` class: `Experiment.run_workflow()`.

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