# Case Metadata Format

The `case.yml` file contains metadata for simulation cases. This file is used
by multiphasepy to manage case information, validation data, and workflow
parameters.

```yaml
name: "Name of the Case"
validation:
    "alpha.air":
        experiment: "validation/experiment/alpha.dat"
        reference: "validation/reference/line.csv"
        simulation: "postProcessing/../line.csv"
keywords:
    BUBBLE SIZE: "monodisperse"
    BUBBLE SIZE CHANGES: "coalescence-breakup"
workflow:
    params:
        cores: 4
        container: "oras://<registry>/<image>:<tag>.sif"
    partition:
        name: "compute"
        ntasks: 16
```

## File Location

The metadata file should be placed in the root directory of each simulation
case:

```text
simulation-case/
├── Allrun
├── case.yml          # Metadata file
├── system/
├── constant/
└── validation/
```

## File Format

The `case.yml` uses YAML format and supports the following top-level keys:

## Schema

### name

Human-readable name for the simulation case.

**Type:** `string`

### workflow

Workflow-related configuration for job scheduling and execution.

#### workflow.params

Parameters for workflow execution.

##### workflow.params.cores

Number of CPU cores to use for the simulation.

**Type:** `integer`

**Example:**

```yaml
workflow:
  params:
    cores: 4
```

##### workflow.params.container

Container image URL for running the simulation in a containerized environment.

**Type:** `string`

**Example with Apptainer|Singularity:**

```yaml
workflow:
  params:
    container: "oras://<registry>/<image>:<tag>.sif"
```

**Example with Docker:**

```yaml
workflow:
  params:
    container: "docker://<registry>/<image>:<tag>"
```

##### workflow.params.partition

Cluster partition configuration for job scheduling.

**Type:** `object`

**Properties:**

- `name` (string): Name of the partition/queue
- `ntasks` (integer): Number of tasks

**Example:**

```yaml
workflow:
  params:
    partition:
      name: "compute"
      ntasks: 16
```

### validation

Validation data configuration for comparing simulation results with
experimental or reference data.

**Type:** `object`

Each field in the validation section represents a physical quantity to be
validated. The key format is typically `<field>` (e.g., `alpha.air`,
`U.water`).

**Properties for each field:**

- `experiment` (string): Path to experimental data file
- `reference` (string): Path to reference/baseline data file
- `simulation` (string): Path to simulation output data file

**Example:**

```yaml
validation:
  "alpha.air":
    experiment: "validation/alpha.dat"
    reference: "validation/reference/line.csv"
    simulation: "postProcessing/sampleFields/4/line.csv"
  "U.water":
    experiment: "validation/velocity.dat"
    reference: "validation/reference/velocity.csv"
    simulation: "postProcessing/sampleFields/4/velocity.csv"
```

### keywords

Keywords for categorizing and searching simulation cases. Keywords follow a
controlled vocabulary defined in the reference keywords file.

**Type:** `object`

Each keyword category contains an applicable value.

**Example:**

```yaml
keywords:
  BUBBLE SIZE: "monodisperse"
  BUBBLE SIZE CHANGES: "coalescence-breakup"
```