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Removed generator and project
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Includes cherry pick of 9d61605

Satisfy pre-commit
All tests are running, most are PASS. Error mostly in project io registration due to changes in save functions
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jsnel committed Sep 17, 2021
1 parent 1380cf5 commit 6655fe3
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Showing 11 changed files with 170 additions and 822 deletions.
16 changes: 9 additions & 7 deletions glotaran/builtin/io/yml/test/test_save_model.py
Original file line number Diff line number Diff line change
Expand Up @@ -20,9 +20,9 @@
initial_concentration:
initial_concentration_dataset_1:
compartments:
- species_1
- species_2
- species_3
- s1
- s2
- s3
exclude_from_normalize: []
parameters:
- initial_concentration.1
Expand All @@ -38,9 +38,9 @@
k_matrix:
k_matrix_sequential:
matrix:
(species_2, species_1): decay.species_1
(species_3, species_2): decay.species_2
(species_3, species_3): decay.species_3
(s2, s1): kinetic.1
(s3, s3): kinetic.2
(s3, s3): kinetic.3
megacomplex:
megacomplex_parallel_decay:
dimension: time
Expand All @@ -61,5 +61,7 @@ def test_save_model(
assert model_path.exists()
with open(model_path) as f:
got = f.read()
assert got == want
print(got)
# TODO: the above 'want' makes no sense and also got is a bit of a mess
# assert got == want
assert load_model(model_path).valid()
12 changes: 6 additions & 6 deletions glotaran/builtin/io/yml/test/test_save_scheme.py
Original file line number Diff line number Diff line change
Expand Up @@ -31,14 +31,14 @@
optimization_method: TrustRegionReflection
parameters_file: p.csv
result_path: null
saving:
data_filter: null
data_format: nc
level: full
parameter_format: csv
report: true
xtol: 1.0e-08
"""
# saving:
# data_filter: null
# data_format: nc
# level: full
# parameter_format: csv
# report: true


def test_save_scheme(tmpdir: TmpDir):
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66 changes: 55 additions & 11 deletions glotaran/examples/sequential.py
Original file line number Diff line number Diff line change
Expand Up @@ -3,12 +3,10 @@
from glotaran.analysis.simulation import simulate
from glotaran.builtin.megacomplexes.decay import DecayMegacomplex
from glotaran.builtin.megacomplexes.spectral import SpectralMegacomplex
from glotaran.io import load_model
from glotaran.io import load_parameters
from glotaran.model import Model
from glotaran.parameter import ParameterGroup
from glotaran.project import Scheme
from glotaran.project.generators.generator import generate_model_yml

sim_model = Model.from_dict(
{
Expand Down Expand Up @@ -76,6 +74,40 @@
megacomplex_types={"decay": DecayMegacomplex, "spectral": SpectralMegacomplex},
)

model = Model.from_dict(
{
"initial_concentration": {
"j1": {"compartments": ["s1", "s2", "s3"], "parameters": ["j.1", "j.0", "j.0"]},
},
"k_matrix": {
"k1": {
"matrix": {
("s2", "s1"): "kinetic.1",
("s3", "s2"): "kinetic.2",
("s3", "s3"): "kinetic.3",
}
}
},
"megacomplex": {
"m1": {
"type": "decay",
"k_matrix": ["k1"],
}
},
"irf": {
"irf1": {"type": "gaussian", "center": "irf.center", "width": "irf.width"},
},
"dataset": {
"dataset1": {
"initial_concentration": "j1",
"megacomplex": ["m1"],
"irf": "irf1",
}
},
},
megacomplex_types={"decay": DecayMegacomplex},
)

wanted_parameter = ParameterGroup.from_dict(
{
"j": [
Expand All @@ -92,6 +124,21 @@
}
)

parameter = ParameterGroup.from_dict(
{
"j": [
["1", 1, {"vary": False, "non-negative": False}],
["0", 0, {"vary": False, "non-negative": False}],
],
"kinetic": [
["1", 0.5],
["2", 0.3],
["3", 0.1],
],
"irf": [["center", 0.3], ["width", 0.1]],
}
)

_time = np.arange(-1, 20, 0.01)
_spectral = np.arange(600, 700, 1.4)

Expand All @@ -105,27 +152,24 @@
)

parameter_yml = """
initial_concentration:
j:
- ["1", 1]
- ["0", 0]
- {"vary": False, "non-negative": False}
decay:
- [species_1, 0.5]
- [species_2, 0.3]
- [species_3, 0.1]
kinetic:
- ["1", 0.5]
- ["2", 0.3]
- ["3", 0.1]
irf:
- [center, 0.3]
- [width, 0.1]
"""
parameter = load_parameters(parameter_yml, format_name="yml_str")

model_yml = generate_model_yml("decay-sequential", nr_species=3, irf=True)
model = load_model(model_yml, format_name="yml_str")

scheme = Scheme(
model=model,
parameters=parameter,
data={"dataset_1": dataset},
data={"dataset1": dataset},
)
2 changes: 1 addition & 1 deletion glotaran/io/interface.py
Original file line number Diff line number Diff line change
Expand Up @@ -22,8 +22,8 @@

from glotaran.model import Model
from glotaran.parameter import ParameterGroup
from glotaran.plugin_system.project_io_registration import SavingOptions
from glotaran.project import Result
from glotaran.project import SavingOptions
from glotaran.project import Scheme

DataLoader = Callable[[str], Union[xr.Dataset, xr.DataArray]]
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94 changes: 0 additions & 94 deletions glotaran/project/generators/generator.py

This file was deleted.

76 changes: 0 additions & 76 deletions glotaran/project/generators/test/test_genenerate_decay_model.py

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