DiadFit 0.0.78__py3-none-any.whl → 0.0.80__py3-none-any.whl
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- DiadFit/CO2_EOS.py +14 -3
- DiadFit/CO2_H2O_EOS.py +1088 -0
- DiadFit/CO2_in_bubble_error.py +4 -1
- DiadFit/Highrho_polyfit_dataUCB_1117_1400.pkl +0 -0
- DiadFit/Highrho_polyfit_data_CCMR.pkl +0 -0
- DiadFit/Lowrho_polyfit_dataUCB_1117_1400.pkl +0 -0
- DiadFit/Lowrho_polyfit_data_CCMR.pkl +0 -0
- DiadFit/Mediumrho_polyfit_dataUCB_1117_1400.pkl +0 -0
- DiadFit/Mediumrho_polyfit_data_CCMR.pkl +0 -0
- DiadFit/__init__.py +1 -0
- DiadFit/_version.py +1 -1
- DiadFit/cosmicray_filter.py +2 -0
- DiadFit/densimeters.py +124 -58
- DiadFit/diads.py +129 -52
- DiadFit/error_propagation.py +19 -4
- DiadFit/importing_data_files.py +37 -1
- DiadFit/ne_lines.py +108 -5
- {DiadFit-0.0.78.dist-info → DiadFit-0.0.80.dist-info}/METADATA +1 -1
- {DiadFit-0.0.78.dist-info → DiadFit-0.0.80.dist-info}/RECORD +21 -14
- {DiadFit-0.0.78.dist-info → DiadFit-0.0.80.dist-info}/WHEEL +1 -1
- {DiadFit-0.0.78.dist-info → DiadFit-0.0.80.dist-info}/top_level.txt +0 -0
DiadFit/CO2_EOS.py
CHANGED
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@@ -17,7 +17,7 @@ DiadFit_dir=Path(__file__).parent
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## Calculating density for a given homogenization temp - Only available with Span and Wanger, but have equations
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def calculate_CO2_density_homog_T(T_h_C, EOS='SW96', Sample_ID=None, homog_to=None):
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def calculate_CO2_density_homog_T(T_h_C, EOS='SW96', Sample_ID=None, homog_to=None, set_to_critical=False):
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""" Calculates CO2 density for a specified homogenization temperature in Celcius
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using the Span and Wanger (1996) equation of state.
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@@ -37,6 +37,9 @@ def calculate_CO2_density_homog_T(T_h_C, EOS='SW96', Sample_ID=None, homog_to=No
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homog_to: str ('L', 'V'), pd.series with strings. Optional
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If specified, returns an additional column 'Bulk Density' to choose between the liquid and gas.
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set_to_critical: bool
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Default False. If true, if you enter T_h_C which exceeds 30.9782 (the critical point of CO2) it replaces your entered Temp with that temp.
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Returns
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-------------
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pd.DataFrame:
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@@ -54,8 +57,14 @@ def calculate_CO2_density_homog_T(T_h_C, EOS='SW96', Sample_ID=None, homog_to=No
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#print('Sorry, algorithm cant converge for Ts above 29.878')
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raise TypeError('Sorry, algorithm cant converge for Ts above 30.9782')
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if isinstance(T_h_C, pd.Series) or isinstance(T_h_C, np.ndarray):
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if any(T_h_C)>=30.9782:
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raise TypeError('Sorry, algorithm cant converge for Ts above 30.9782')
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if any(T_h_C)>=30.9782 and set_to_critical is False:
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raise TypeError('Sorry, algorithm cant converge for Ts above 30.9782. You can put set_to_critical=True and this T_ will be replacd with 30.9782')
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elif any(T_h_C)>=30.9782 and set_to_critical is True:
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if isinstance(T_h_C, pd.Series):
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T_h_C = np.where(T_h_C > 30.9782, 30.9782, T_h_C)
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elif isinstance(T_h_C, np.ndarray):
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T_h_C[T_h_C > 30.9782] = 30.9782
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if EOS!='SW96':
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raise TypeError('At the moment, only Span and Wanger (SW96) EOS can be used to convert T_h_C into density')
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@@ -144,6 +153,8 @@ def calculate_CO2_density_homog_T(T_h_C, EOS='SW96', Sample_ID=None, homog_to=No
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df['Sample_ID']=Sample_ID
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return df
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