Python API クライアント

pip install ionworks-api

pip install ionworks-schema

import ionworks_schema as iws
from ionworks import Ionworks

pipeline = iws.SimplePipeline(
    elements={
        "fit": iws.DataFit(
            objectives={"cycle": iws.objectives.CurrentDriven(
                data_input="path/to/discharge.csv",
            )},
            parameters={
                "Negative particle diffusivity [m2.s-1]": iws.Parameter(
                    "Negative particle diffusivity [m2.s-1]",
                    bounds=(1e-14, 1e-13),
                    initial_value=2e-14,
                ),
            },
            cost=iws.costs.RMSE(),
        ),
    },
    name="Diffusivity fit",
)

client = Ionworks()
sp = client.simple_pipeline.create(pipeline, name=pipeline.name)

from ionworks import Ionworks

# Option 1: Environment variable (recommended)
# Set IONWORKS_API_KEY in your shell environment before constructing the client
client = Ionworks()

# Option 2: Direct configuration
client = Ionworks(api_key="your_key")

# Option 3: Custom timeout and retry settings
client = Ionworks(
    timeout=30,       # Request timeout in seconds (default: 10)
    max_retries=3     # Max retries on failure (default: 5)
)

me = client.whoami()
print(me["email"], me["authorized_organization"])
# [email protected] {'id': 'org_abc123', 'name': 'Acme Battery'}

# Option 1: Environment variable (recommended)
# Set IONWORKS_PROJECT_ID in your environment or .env file
client = Ionworks()

# Option 2: Pass to the client constructor
client = Ionworks(project_id="your-project-id")

# Override on a per-call basis when needed
client.study.list(project_id="other-project-id")

# Option 1: Set via constructor
client = Ionworks(dataframe_backend="pandas")

# Option 2: Set via environment variable
# IONWORKS_DATAFRAME_BACKEND=pandas

# Option 3: Set at runtime
from ionworks import set_dataframe_backend, get_dataframe_backend

set_dataframe_backend("pandas")
print(get_dataframe_backend())  # "pandas"

# Longer timeout for large uploads
client = Ionworks(timeout=60)

# Disable retries
client = Ionworks(max_retries=0)

caps = client.capabilities()
print(caps["domain_context"]["hierarchy"])
# organization -> project -> cell_specification -> cell_instance
# -> cell_measurement -> [time_series, steps, cycles, analysis] ...

# 標準の time-series カラム名、必須フィールド、符号規約
data_schema = client.schema("data")

# UCP の JSON Schema と実行可能なサンプル
protocol_schema = client.schema("protocol")

client = Ionworks(project_id="proj_abc")

client.urls.study("study_xyz")
# https://app.ionworks.com/dashboard/projects/proj_abc/studies/study_xyz

client.urls.parameterized_model("pm_123")
# https://app.ionworks.com/dashboard/projects/proj_abc/parameterized-models/pm_123

client.urls.simulation("sim_1", parameterized_model_id="pm_123")

# client.simulation.get(simulation_id) を 1 回呼び出してから URL を構築します。
client.urls.simulation("sim_1")

# Cancel a job by ID
client.job.cancel(job_id="job_abc123")

curl -X POST \
  -H "Authorization: Bearer $IONWORKS_API_KEY" \
  https://api.ionworks.com/jobs/{pipeline_id}/resubmit

metadata = client.job.get_metadata("job_abc123")

# Validation payloads, when present
plot_config = metadata.get("validation_plot_config")
series_index = metadata.get("validation_series_index")

import numpy as np

# サンプラーを用いたデータフィットのサンプル鎖を取得
samples = client.job.get_posterior_samples(job_id="job_abc123")

chain = samples["samples"]                    # パラメータ名をキーとする dict[str, list]
costs = samples["sample_costs"]               # 各サンプルのコスト
param_names = samples["sample_param_names"]   # 列順のパラメータ名
burnin = samples["sample_burnin"] or 0        # バーンイン長（None の場合あり）

# 鎖はマルチスタートのフィットでは 2 次元（スタート, イテレーション）、
# シングルスタートでは 1 次元（イテレーション,）になるため、
# バーンインは常に最後の軸から取り除きます。
post_burnin = {k: np.asarray(v)[..., burnin:] for k, v in chain.items()}