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@bobmyhill
bobmyhill committed May 18, 2021
1 parent 78f2297 commit ca2d3af
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Showing 23 changed files with 4,884 additions and 4,884 deletions.
6 changes: 3 additions & 3 deletions VESIcal/batchmodel.py
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Original file line number Diff line number Diff line change
Expand Up @@ -149,7 +149,7 @@ def calculate_dissolved_volatiles(self, temperature, pressure, X_fluid=1, print_
# Check if the model passed as the attribute "model_type"
# Currently only implemented for MagmaSat type models
if hasattr(model, 'model_type') is True:
model = model.model_type
model = model.model_type

H2Ovals = []
CO2vals = []
Expand Down Expand Up @@ -388,7 +388,7 @@ def calculate_equilibrium_fluid_comp(self, temperature, pressure=None, print_sta
# Check if the model passed as the attribute "model_type"
# Currently only implemented for MagmaSat type models
if hasattr(model, 'model_type') is True:
model = model.model_type
model = model.model_type

if isinstance(temperature, str):
file_has_temp = True
Expand Down Expand Up @@ -568,7 +568,7 @@ def calculate_saturation_pressure(self, temperature, print_status=None, model='M
# Check if the model passed has the attribute "model_type"
# Currently only implemented for MagmaSat type models
if hasattr(model, 'model_type') is True:
model = model.model_type
model = model.model_type

# set default print_status to True for MagmaSat, False for other models if user doesn't pass any option
if print_status is None:
Expand Down
216 changes: 108 additions & 108 deletions VESIcal/calibrations.py
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Original file line number Diff line number Diff line change
Expand Up @@ -6,25 +6,25 @@
import pandas as pd

model_names = ['AllisonCarbon',
'Dixon',
'DixonCarbon',
'DixonWater',
'IaconoMarziano',
'IaconoMarzianoCarbon',
'IaconoMarzianoWater',
'Liu',
'LiuWater',
'LiuCarbon',
'MagmaSat',
'MagmaSatCarbon',
'MagmaSatWater',
'MagmaSatMixed'
'MooreWater',
'ShishkinaCarbon',
'ShishkinaWater',
'Shishkina',
#'EguchiCarbon',
]
'Dixon',
'DixonCarbon',
'DixonWater',
'IaconoMarziano',
'IaconoMarzianoCarbon',
'IaconoMarzianoWater',
'Liu',
'LiuWater',
'LiuCarbon',
'MagmaSat',
'MagmaSatCarbon',
'MagmaSatWater',
'MagmaSatMixed'
'MooreWater',
'ShishkinaCarbon',
'ShishkinaWater',
'Shishkina',
#'EguchiCarbon',
]

# These hard-coded pandas DataFrames are generated in the 'generage_hardcoded_calibrations.py' script.

Expand Down Expand Up @@ -212,130 +212,130 @@
})

def return_calibration_type(model_name):
"""
Returns metadata for the calibration dataset for specified model
"""
Returns metadata for the calibration dataset for specified model
Parameters
----------
model: string
String of model name.
Parameters
----------
model: string
String of model name.
Returns
-------
dict
Metadata on the dataset. A dict is returned with parameters CO2, H2O, or mixed set to True or False.
True indicates that experiments where performed using that fluid type. For example, a model may be
able to calculate mixed H2O-CO2 solubilities, but it's dataset may be made up only of pure-CO2 and
pure-H2O data. In this case, a model's metadata would be {'CO2': True, 'H2O': True, 'Mixed': False}.
Returns
-------
dict
Metadata on the dataset. A dict is returned with parameters CO2, H2O, or mixed set to True or False.
True indicates that experiments where performed using that fluid type. For example, a model may be
able to calculate mixed H2O-CO2 solubilities, but it's dataset may be made up only of pure-CO2 and
pure-H2O data. In this case, a model's metadata would be {'CO2': True, 'H2O': True, 'Mixed': False}.
This value expresses whether experiments used to parameterized models are pure-CO2, pure-H2O, or
mixed H2O-CO2 experiments. In many cases, pure-CO2 experiments cannot be distinguished from
mixed H2O-CO2 experiments, in which case the experiments are classified as 'Mixed'.
"""
This value expresses whether experiments used to parameterized models are pure-CO2, pure-H2O, or
mixed H2O-CO2 experiments. In many cases, pure-CO2 experiments cannot be distinguished from
mixed H2O-CO2 experiments, in which case the experiments are classified as 'Mixed'.
"""

if model_name == 'AllisonCarbon':
return {'CO2': False, 'H2O': False, 'Mixed': True}
if model_name == 'AllisonCarbon':
return {'CO2': False, 'H2O': False, 'Mixed': True}

if model_name == 'Dixon':
return {'CO2': True, 'H2O': True, 'Mixed': False}
if model_name == 'Dixon':
return {'CO2': True, 'H2O': True, 'Mixed': False}

if model_name == 'DixonCarbon':
return {'CO2': True, 'H2O': False, 'Mixed': False}
if model_name == 'DixonCarbon':
return {'CO2': True, 'H2O': False, 'Mixed': False}

if model_name == 'DixonWater':
return {'CO2': False, 'H2O': True, 'Mixed': False}
if model_name == 'DixonWater':
return {'CO2': False, 'H2O': True, 'Mixed': False}

if model_name == 'IaconoMarziano':
return {'CO2': False, 'H2O': True, 'Mixed': True}
if model_name == 'IaconoMarziano':
return {'CO2': False, 'H2O': True, 'Mixed': True}

if model_name == 'IaconoMarzianoCarbon':
return {'CO2': False, 'H2O': False, 'Mixed': True}
if model_name == 'IaconoMarzianoCarbon':
return {'CO2': False, 'H2O': False, 'Mixed': True}

if model_name == 'IaconoMarzianoWater':
return {'CO2': False, 'H2O': True, 'Mixed': False}
if model_name == 'IaconoMarzianoWater':
return {'CO2': False, 'H2O': True, 'Mixed': False}

if model_name == 'Liu':
return {'CO2': False, 'H2O': True, 'Mixed': True}
if model_name == 'Liu':
return {'CO2': False, 'H2O': True, 'Mixed': True}

if model_name == 'LiuCarbon':
return {'CO2': False, 'H2O': False, 'Mixed': True}
if model_name == 'LiuCarbon':
return {'CO2': False, 'H2O': False, 'Mixed': True}

if model_name == 'LiuWater':
return {'CO2': False, 'H2O': True, 'Mixed': False}
if model_name == 'LiuWater':
return {'CO2': False, 'H2O': True, 'Mixed': False}

if model_name == 'MagmaSat':
return{'CO2': True, 'H2O': True, 'Mixed': True}
if model_name == 'MagmaSat':
return{'CO2': True, 'H2O': True, 'Mixed': True}

if model_name == 'MooreWater':
return {'CO2': False, 'H2O': False, 'Mixed': True}
if model_name == 'MooreWater':
return {'CO2': False, 'H2O': False, 'Mixed': True}

if model_name == 'Shishkina':
return {'CO2': False, 'H2O': True, 'Mixed': True}
if model_name == 'Shishkina':
return {'CO2': False, 'H2O': True, 'Mixed': True}

if model_name == 'ShishkinaCarbon':
return {'CO2': False, 'H2O': False, 'Mixed': True}
if model_name == 'ShishkinaCarbon':
return {'CO2': False, 'H2O': False, 'Mixed': True}

if model_name == 'ShishkinaWater':
return {'CO2': False, 'H2O': True, 'Mixed': False}
if model_name == 'ShishkinaWater':
return {'CO2': False, 'H2O': True, 'Mixed': False}


def return_calibration(model_name):
"""
Returns the calibration dataset for specified model
"""
Returns the calibration dataset for specified model
Parameters
----------
model: string
String of model name.
Parameters
----------
model: string
String of model name.
Returns
-------
dict
Dictionary with keys 'CO2', 'H2O', and 'Mixed' and corresponding datasets. If a dataset
for a particular key is nonexistent, None will be returned for that value.
"""
Returns
-------
dict
Dictionary with keys 'CO2', 'H2O', and 'Mixed' and corresponding datasets. If a dataset
for a particular key is nonexistent, None will be returned for that value.
"""

if model_name == 'AllisonCarbon':
return {'Mixed': df_Allison_CO2, 'marker':'d', 'facecolor':'yellow'}
if model_name == 'AllisonCarbon':
return {'Mixed': df_Allison_CO2, 'marker':'d', 'facecolor':'yellow'}

if model_name == 'Dixon':
return {'CO2': df_Dixon_CO2, 'H2O': df_Dixon_H2O, 'marker':'d', 'facecolor':'blue'}
if model_name == 'Dixon':
return {'CO2': df_Dixon_CO2, 'H2O': df_Dixon_H2O, 'marker':'d', 'facecolor':'blue'}

if model_name == 'DixonCarbon':
return {'CO2': df_Dixon_CO2,'marker':'d', 'facecolor':'blue'}
if model_name == 'DixonCarbon':
return {'CO2': df_Dixon_CO2,'marker':'d', 'facecolor':'blue'}

if model_name == 'DixonWater':
return {'H2O': df_Dixon_H2O, 'marker':'s', 'facecolor':'blue'}
if model_name == 'DixonWater':
return {'H2O': df_Dixon_H2O, 'marker':'s', 'facecolor':'blue'}

if model_name == 'IaconoMarziano':
return {'H2O': df_Iacono_H2O, 'Mixed': df_Iacono_CO2H2O, 'marker':'d', 'facecolor':'magenta'}
if model_name == 'IaconoMarziano':
return {'H2O': df_Iacono_H2O, 'Mixed': df_Iacono_CO2H2O, 'marker':'d', 'facecolor':'magenta'}

if model_name == 'IaconoMarzianoCarbon':
return "No CO2-only data for this model. Try 'IaconoMarziano' or 'IaconoMarzianoWater'"
if model_name == 'IaconoMarzianoCarbon':
return "No CO2-only data for this model. Try 'IaconoMarziano' or 'IaconoMarzianoWater'"

if model_name == 'IaconoMarzianoWater':
return {'H2O': df_Iacono_H2O, 'marker':'s', 'facecolor':'magenta'}
if model_name == 'IaconoMarzianoWater':
return {'H2O': df_Iacono_H2O, 'marker':'s', 'facecolor':'magenta'}

if model_name == 'Liu':
return {'Mixed': df_Liu_CO2H2O, 'H2O': df_Liu_H2O, 'marker':'d', 'facecolor':'deepskyblue'}
if model_name == 'Liu':
return {'Mixed': df_Liu_CO2H2O, 'H2O': df_Liu_H2O, 'marker':'d', 'facecolor':'deepskyblue'}

if model_name == 'LiuCarbon':
return {'Mixed': df_Liu_CO2H2O, 'marker':'o', 'facecolor':'deepskyblue'}
if model_name == 'LiuCarbon':
return {'Mixed': df_Liu_CO2H2O, 'marker':'o', 'facecolor':'deepskyblue'}

if model_name == 'LiuWater':
return {'H2O': df_Liu_H2O, 'marker':'s', 'facecolor':'deepskyblue'}
if model_name == 'LiuWater':
return {'H2O': df_Liu_H2O, 'marker':'s', 'facecolor':'deepskyblue'}

if model_name == 'MagmaSat':
return {'CO2': df_MagmaSat_CO2, 'H2O': df_MagmaSat_H2O, 'Mixed': df_MagmaSat_CO2H2O, 'marker':'d', 'facecolor':'silver'}
if model_name == 'MagmaSat':
return {'CO2': df_MagmaSat_CO2, 'H2O': df_MagmaSat_H2O, 'Mixed': df_MagmaSat_CO2H2O, 'marker':'d', 'facecolor':'silver'}

if model_name == 'MooreWater':
return {'Mixed': df_Moore_H2O, 'marker':'s', 'facecolor':'lime'}
if model_name == 'MooreWater':
return {'Mixed': df_Moore_H2O, 'marker':'s', 'facecolor':'lime'}

if model_name == 'ShishkinaCarbon':
return {'Mixed': df_Shishkina_CO2H2O, 'marker':'d', 'facecolor':'darkorange'}
if model_name == 'ShishkinaCarbon':
return {'Mixed': df_Shishkina_CO2H2O, 'marker':'d', 'facecolor':'darkorange'}

if model_name == 'ShishkinaWater':
return {'H2O': df_Shishkina_H2O, 'marker':'s', 'facecolor':'darkorange'}
if model_name == 'ShishkinaWater':
return {'H2O': df_Shishkina_H2O, 'marker':'s', 'facecolor':'darkorange'}

if model_name == 'Shishkina':
return {'H2O': df_Shishkina_H2O, 'Mixed': df_Shishkina_CO2H2O, 'marker':'d', 'facecolor':'darkorange'}
if model_name == 'Shishkina':
return {'H2O': df_Shishkina_H2O, 'Mixed': df_Shishkina_CO2H2O, 'marker':'d', 'facecolor':'darkorange'}
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