crunchflow.output.speciation.Speciation
- class crunchflow.output.speciation.Speciation(block_text)
A class for parsing and storing the results from a single speciation block within a CrunchFlow output file.
This class processes the full text of a speciation block and extracts: - Primary species and their total concentrations. - Secondary species with molality, activity, and activity coefficient. - Gas species and their partial pressures. - Mineral phases and their saturation indices. - Exchange sites, exchangers, and surface complexation data. - General geochemical properties such as temperature, porosity, pH, etc.
- Parameters:
- block_textstr
The full text of a speciation block from a CrunchFlow output file.
- Attributes:
- totconpandas.DataFrame
Total molality of primary species. Index is species name.
- concpandas.DataFrame
Molality, activity, and activity coefficient of secondary species.
- gas_concpandas.DataFrame
Partial pressure of gas species, in bars.
- saturationpandas.DataFrame
Saturation indices of minerals, in log format.
- exchangerspandas.DataFrame
Equivalent concentrations of exchange sites.
- exchange_site_concpandas.DataFrame
Concentrations of primary species in exchange sites.
- surface_complexpandas.DataFrame
Concentrations of surface complex species.
- temperature, porosity, pH, pe, eh, total_chargefloat
Scalar geochemical properties extracted from the block.
- primary_species, secondary_species, minerals, gaseslist of str
Lists of species in each category.
Methods
__str__()
Returns a summary string with primary and secondary species counts.
- __str__()
Return a short summary string for the speciation block.
Includes counts of primary and secondary species parsed.