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Modified reeps to grab charge from REE in xml file for initial chlorine moles calculation

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titusquah
2020-06-02 14:38:25 -06:00
parent 5dd4d37c02
commit 52c8efc05e
6 changed files with 1224 additions and 9 deletions
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1
tests/one_comp_settings.txt Normal file
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@@ -0,0 +1 @@
{"exp_csv_filename": "../data/csvs/exp_data.csv", "phases_xml_filename": "../data/xmls/twophase.xml", "x_guess": 0.96, "h_guess": -4856609000.0, "phase_names": ["HCl_electrolyte", "PC88A_liquid"], "aq_solvent_name": "H2O(L)", "extractant_name": "(HA)2(org)", "diluant_name": "dodecane", "complex_name": "Nd(H(A)2)3(org)", "rare_earth_ion_name": "Nd+++", "aq_solvent_rho": 1000.0, "extractant_rho": 960.0, "diluant_rho": 750.0}

3
tests/test_reeps.py
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@@ -1,8 +1,9 @@
import json
import sys
sys.path.append('../')
from reeps import REEPS
import json
with open('one_comp_settings.txt') as file:
testing_params = json.load(file)