config.qmd

## All Options

For all KIMMDY options see [here](https://graeter-group.github.io/kimmdy/guide/references/input.html#all-options).

```{python}
#| echo: false
from kimmdy.schema import get_combined_scheme, flatten_scheme, generate_markdown_table, convert_schema_to_dict
from pathlib import Path
import json

def cat_options(reaction: str):
  path = Path(f"./src/{reaction}/kimmdy-yaml-schema.json")
  with path.open("r") as f:
      schema = json.load(f)

  scheme = convert_schema_to_dict(schema)
  flat_scheme = flatten_scheme(scheme)

  for item in flat_scheme:
    print(f"### {item['key']}\n")
    print(f"{item['desc']}\n\n")
    if item['type'] != "":
      print(f"**Type**: {item['type']}\n\n")
    if item['enum'] != "":
      print(f"**Options**: {item['enum']}\n\n")
    if item['default'] != "":
      print(f"**Default**: {item['default']}\n\n")
```

## Homolysis

```yaml
reactions:
  homolysis: ...
```

```{python}
#| echo: false
#| output: asis
cat_options("homolysis")
```

## Dummy Reaction

```yaml
reactions:
  dummyreaction: ...
```

```{python}
#| output: asis
#| echo: false
cat_options("dummyreaction")
```

## Naive HAT

```yaml
reactions:
  hat_naive: ...
```

```{python}
#| output: asis
#| echo: false
cat_options("hat_naive")
```