Table
The Table class is used to create objects that can store and operate on two-dimensional data. This data is stored in a Pandas DataFrame, which can be accessed and changed directly using the .data attribute. It also contains some methods allowing users to add entire columns, either by user definition or by operating on an extant column.
- class chromaquant.data.table.Table(data_frame: DataFrame | None = None, start_cell: str = '', sheet: str = '', header: str = '', results: Results = None)
Class used to store data alongside reporting information.
Parameters
- data_framepandas DataFrame, optional
Data to be stored.
- start_cellstr, optional
Reference to cell in Excel where data will be reported, referring to the top-left of report range. Must be a valid Excel cell (e.g., ‘A1’, ‘$B$2’).
- sheetstr, optional
Name of Excel worksheet (sheet within workbook) where data will be reported.
- header: str, optional
Header to add above a dataset, equivalent to a title.
- results: Results, optional
Results object that mediates this DataSet.
Raises
- ValueError
If sheet is set to a blank string.
- ValueError
If start_cell is set to an invalid Excel cell.
- add_category_column(column_name: str, categories: Categories, new_column_name: str = 'Category')
Method to add a categories column to the Table using passed Categories
Parameters
- column_namestr
The name of the column to base categories on.
- categoriesCategories
A Categories object used apply categories.
- new_column_namestr, optional
The name of the column to store new categories in.
Returns
None
- add_element_count_column(formula_column_name: str, element: str, new_column_name: str = '')
Method to add a molecular weight column to the Table
Parameters
- formula_column_namestr
The name of the column containing chemical formulas.
- new_column_namestr, optional
The name of the column to store molecular weights in.
Returns
None
- add_molecular_weight_column(formula_column_name: str, new_column_name: str = 'Molecular weight')
Method to add a molecular weight column to the Table
Parameters
- formula_column_namestr
The name of the column containing chemical formulas.
- new_column_namestr, optional
The name of the column to store molecular weights in.
Returns
None
- add_table_column(column_name: str, column_values: Any = nan)
Method to add values to a column, either existing or new.
Parameters
- column_namestr
The name of the existing or new column to reference.
- column_valuesAny, optional
The value(s) to add to the column. Can be an iterable like a list or a single value.
Returns
None
- add_table_column_from_function(column_name: str, function: Callable[[...], Any], *args: Any, **kwargs: Any)
Method to add a column to the Table using a passed function.
Parameters
- column_namestr
The name of the new column.
- functionCallable[…, Any]
A function that accepts the arbitrary positional and keyword arguments passed to add_table_column_from_function and returns a single value or iterable to add to a column.
Returns
None
- property data: DataFrame | None
Get, set, or delete data stored in the DataSet. Common types include str, bool, int, float, list, dict, or pandas DataFrame.
- import_csv_data(path: str, **kwargs: Any)
Reads .csv at passed path and sets self._data to result.
Parameters
- pathstr
Full path to the data file of interest, including file name.
- data_keystr
Name to assign imported data when using the “data” object.
Returns
None
- insert(column: str, range: bool = False) str
Method that returns a unique identifier within a string insert. Used when composing dynamic formulas for reporting to Excel.
Returns
- insert: str
Formula insert containing unique Table identifier.
- match(import_DF: DataFrame, match_config: MatchConfig) DataFrame
Method to match a passed DataFrame to the current Table’s data.
Parameters
- import_DFpd.DataFrame
DataFrame to match to current data.
- match_configMatchConfig
MatchConfig object defining rules for matching process.
Returns
- match_DFpd.DataFrame
Resulting DataFrame from matching.
- property reference
Get the current reference object for the DataSet. Unable to set or delete this value as it is managed internally.
- property sheet: str
Get, set, or delete the name of the Excel worksheet to report to.
- property start_cell: str
Get, set, or delete the Excel reference where data will be reported.