# {py:mod}`airsspy.casteptools`

```{py:module} airsspy.casteptools
```

```{autodoc2-docstring} airsspy.casteptools
:allowtitles:
```

## Module Contents

### Functions

````{list-table}
:class: autosummary longtable
:align: left

* - {py:obj}`parse_param <airsspy.casteptools.parse_param>`
  - ```{autodoc2-docstring} airsspy.casteptools.parse_param
    :summary:
    ```
* - {py:obj}`parse_dot_castep <airsspy.casteptools.parse_dot_castep>`
  - ```{autodoc2-docstring} airsspy.casteptools.parse_dot_castep
    :summary:
    ```
* - {py:obj}`RASH_prepare_seed <airsspy.casteptools.RASH_prepare_seed>`
  - ```{autodoc2-docstring} airsspy.casteptools.RASH_prepare_seed
    :summary:
    ```
* - {py:obj}`extract_REM <airsspy.casteptools.extract_REM>`
  - ```{autodoc2-docstring} airsspy.casteptools.extract_REM
    :summary:
    ```
* - {py:obj}`extract_result <airsspy.casteptools.extract_result>`
  - ```{autodoc2-docstring} airsspy.casteptools.extract_result
    :summary:
    ```
* - {py:obj}`extract_REM_from_castep <airsspy.casteptools.extract_REM_from_castep>`
  - ```{autodoc2-docstring} airsspy.casteptools.extract_REM_from_castep
    :summary:
    ```
* - {py:obj}`extract_cell_rem_metadata <airsspy.casteptools.extract_cell_rem_metadata>`
  - ```{autodoc2-docstring} airsspy.casteptools.extract_cell_rem_metadata
    :summary:
    ```
* - {py:obj}`build_rem_lines <airsspy.casteptools.build_rem_lines>`
  - ```{autodoc2-docstring} airsspy.casteptools.build_rem_lines
    :summary:
    ```
* - {py:obj}`write_converge <airsspy.casteptools.write_converge>`
  - ```{autodoc2-docstring} airsspy.casteptools.write_converge
    :summary:
    ```
* - {py:obj}`get_rand_cell_name <airsspy.casteptools.get_rand_cell_name>`
  - ```{autodoc2-docstring} airsspy.casteptools.get_rand_cell_name
    :summary:
    ```
* - {py:obj}`castep_finish_ok <airsspy.casteptools.castep_finish_ok>`
  - ```{autodoc2-docstring} airsspy.casteptools.castep_finish_ok
    :summary:
    ```
* - {py:obj}`castep_geom_count <airsspy.casteptools.castep_geom_count>`
  - ```{autodoc2-docstring} airsspy.casteptools.castep_geom_count
    :summary:
    ```
* - {py:obj}`push_cell <airsspy.casteptools.push_cell>`
  - ```{autodoc2-docstring} airsspy.casteptools.push_cell
    :summary:
    ```
* - {py:obj}`gulp_relax_finish_ok <airsspy.casteptools.gulp_relax_finish_ok>`
  - ```{autodoc2-docstring} airsspy.casteptools.gulp_relax_finish_ok
    :summary:
    ```
````

### Data

````{list-table}
:class: autosummary longtable
:align: left

* - {py:obj}`pattern_geom <airsspy.casteptools.pattern_geom>`
  - ```{autodoc2-docstring} airsspy.casteptools.pattern_geom
    :summary:
    ```
* - {py:obj}`pattern_time <airsspy.casteptools.pattern_time>`
  - ```{autodoc2-docstring} airsspy.casteptools.pattern_time
    :summary:
    ```
````

### API

````{py:exception} CastepRunError()
:canonical: airsspy.casteptools.CastepRunError

Bases: {py:obj}`RuntimeError`

```{autodoc2-docstring} airsspy.casteptools.CastepRunError
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.casteptools.CastepRunError.__init__
```

````

````{py:exception} CastepSkip()
:canonical: airsspy.casteptools.CastepSkip

Bases: {py:obj}`RuntimeError`

```{autodoc2-docstring} airsspy.casteptools.CastepSkip
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.casteptools.CastepSkip.__init__
```

````

````{py:exception} CastepManualTimedout()
:canonical: airsspy.casteptools.CastepManualTimedout

Bases: {py:obj}`RuntimeError`

```{autodoc2-docstring} airsspy.casteptools.CastepManualTimedout
```

```{rubric} Initialization
```

```{autodoc2-docstring} airsspy.casteptools.CastepManualTimedout.__init__
```

````

````{py:function} parse_param(seed: str) -> dict
:canonical: airsspy.casteptools.parse_param

```{autodoc2-docstring} airsspy.casteptools.parse_param
```
````

````{py:data} pattern_geom
:canonical: airsspy.casteptools.pattern_geom
:value: <Multiline-String>

```{autodoc2-docstring} airsspy.casteptools.pattern_geom
```

````

````{py:data} pattern_time
:canonical: airsspy.casteptools.pattern_time
:value: <Multiline-String>

```{autodoc2-docstring} airsspy.casteptools.pattern_time
```

````

````{py:function} parse_dot_castep(fb, aggregate=False)
:canonical: airsspy.casteptools.parse_dot_castep

```{autodoc2-docstring} airsspy.casteptools.parse_dot_castep
```
````

````{py:function} RASH_prepare_seed(seed: str, relaxed: str, amp: float) -> io.StringIO
:canonical: airsspy.casteptools.RASH_prepare_seed

```{autodoc2-docstring} airsspy.casteptools.RASH_prepare_seed
```
````

````{py:function} extract_REM(seed: str) -> dict
:canonical: airsspy.casteptools.extract_REM

```{autodoc2-docstring} airsspy.casteptools.extract_REM
```
````

````{py:function} extract_result(seed: str) -> dict
:canonical: airsspy.casteptools.extract_result

```{autodoc2-docstring} airsspy.casteptools.extract_result
```
````

````{py:function} extract_REM_from_castep(seed: str) -> dict
:canonical: airsspy.casteptools.extract_REM_from_castep

```{autodoc2-docstring} airsspy.casteptools.extract_REM_from_castep
```
````

````{py:function} extract_cell_rem_metadata(seed: str) -> dict
:canonical: airsspy.casteptools.extract_cell_rem_metadata

```{autodoc2-docstring} airsspy.casteptools.extract_cell_rem_metadata
```
````

````{py:function} build_rem_lines(seed: str) -> list[str]
:canonical: airsspy.casteptools.build_rem_lines

```{autodoc2-docstring} airsspy.casteptools.build_rem_lines
```
````

````{py:function} write_converge(seed: str, suffix: str = 'castep') -> None
:canonical: airsspy.casteptools.write_converge

```{autodoc2-docstring} airsspy.casteptools.write_converge
```
````

````{py:function} get_rand_cell_name(seed_name: str) -> str
:canonical: airsspy.casteptools.get_rand_cell_name

```{autodoc2-docstring} airsspy.casteptools.get_rand_cell_name
```
````

````{py:function} castep_finish_ok(dot_castep: str) -> bool
:canonical: airsspy.casteptools.castep_finish_ok

```{autodoc2-docstring} airsspy.casteptools.castep_finish_ok
```
````

````{py:function} castep_geom_count(dot_castep: str) -> int
:canonical: airsspy.casteptools.castep_geom_count

```{autodoc2-docstring} airsspy.casteptools.castep_geom_count
```
````

````{py:function} push_cell(cellout: str, cell: str) -> None
:canonical: airsspy.casteptools.push_cell

```{autodoc2-docstring} airsspy.casteptools.push_cell
```
````

````{py:function} gulp_relax_finish_ok(dot_castep: str) -> bool
:canonical: airsspy.casteptools.gulp_relax_finish_ok

```{autodoc2-docstring} airsspy.casteptools.gulp_relax_finish_ok
```
````