Usage¶
A complete ROSSpy simulation can be designed and executed through the following example sequence:
# conduct a ROSSpy simulation
from rosspy import ROSSPkg
ross = ROSSPkg(database_selection, simulation)
ross.reactive_transport(simulation_time, simulation_perspective, final_cf)
ross.feed_geochemistry(water_selection, water_characteristics)
ross.execute()
Accessible content¶
A multitude of values are stored within the ROSSpy
object, and can be subsequently used in post-processing. The complete list of these values can be reviewed through the built-in dir()
function, which is highlighted in the following list:
selected_output & processed_data
DataFrame
: Pandas DataFrames that possesses the raw and processed simulation data, respectively, from the PHREEQ simulation.elemental_masses
dict
: A dictionary of the mass for each ion that constitutes scale. This is only determined forscaling
simulations.databases & feed_sources
list
: The available databases and feed waters in therosspy/databases/
androsspy/water_bodies/
directories, respectively.elements & minerals
dict
: Dictionaries of the elements and minerals that are defined by the selected database, respectively.cumulative_cf
float
: The final effluent CF after the entire simulationro_module & water_body
dict
: The complete sets of parameterized values for the simulated RO module and feed water, respectively.input_file
str
: The complete PHREEQ input file that is executed for the simulation.predicted_effluent
dict
: The predicted effluent concentrations of each feed ion.parameters & variables
dict
: Dictionaries with the simulation parameters and calculated variables, respectively.results
dict
: A dictionary with the simulation results and each block of the input file.simulation_shifts
float
: The number of simulation shifts.water_mw & water_gL
float
: The molecular weight and density of water, respectively.chem_mw
ChemMW
: TheChemMW
object from the ChemW module, which allows users to calculate the molecular weight from any chemical formula or chemical common name. The formatting specifications are detailed in the README of the ChemW module.