Exemplo n.º 1
0
from pyglotaran_extras.plotting.style import PlotStyle

from glotaran.analysis.optimize import optimize
from glotaran.io import load_dataset
from glotaran.io import load_model
from glotaran.io import load_parameters
from glotaran.io import save_result
from glotaran.project.scheme import Scheme

DATA_PATH1 = "data/data1.ascii"
DATA_PATH2 = "data/data2.ascii"
MODEL_PATH = "models/model.yml"
PARAMETERS_FILE_PATH = "models/parameters.yml"

# %% Setup necessary (output) paths
results_folder, script_folder = setup_case_study(Path(__file__))
output_folder = results_folder.joinpath("target_analysis")
print(f"- Using folder {output_folder.name} to read/write files for this run")

# %% Load in data, model and parameters
# dataset1 = ExplicitFile(script_folder.joinpath(DATA_PATH1)).read()
# dataset2 = ExplicitFile(script_folder.joinpath(DATA_PATH2)).read()
dataset1 = load_dataset(script_folder.joinpath(DATA_PATH1))
dataset2 = load_dataset(script_folder.joinpath(DATA_PATH2))
model = load_model(script_folder.joinpath(MODEL_PATH))
parameters = load_parameters(script_folder.joinpath(PARAMETERS_FILE_PATH))

# %% Validate model and parameters
print(model.validate(parameters=parameters))

# %% Construct the analysis scheme
from pyglotaran_extras.plotting.plot_overview import plot_overview
from pyglotaran_extras.plotting.style import PlotStyle

from glotaran import read_model_from_yaml_file
from glotaran import read_parameters_from_yaml_file
from glotaran.analysis.optimize import optimize
from glotaran.analysis.scheme import Scheme
from glotaran.io import read_data_file

DATA_PATH = "data/demo_data_Hippius_etal_JPCC2007_111_13988_Figs5_9.ascii"
MODEL_PATH = "models/model.yml"
PARAMETERS_FILE_PATH = "models/parameters.yml"

# %% Setup necessary (output) paths
script_file = Path(__file__)
results_folder, script_folder = setup_case_study(script_file)
output_folder = results_folder.joinpath(script_file.stem)
print(f"- Using folder {output_folder.name} to read/write files for this run")

# %% Load in data, model and parameters
dataset = read_data_file(script_folder.joinpath(DATA_PATH))
model = read_model_from_yaml_file(script_folder.joinpath(MODEL_PATH))
parameters = read_parameters_from_yaml_file(
    script_folder.joinpath(PARAMETERS_FILE_PATH))

# %% Validate model and parameters
print(model.validate(parameters=parameters))

# %% Construct the analysis scheme
scheme = Scheme(model,
                parameters, {"dataset1": dataset},