# {py:mod}`airsspy.ranking`

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

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

## Module Contents

### Classes

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

* - {py:obj}`StructureRecord <airsspy.ranking.StructureRecord>`
  - ```{autodoc2-docstring} airsspy.ranking.StructureRecord
    :summary:
    ```
````

### Functions

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

* - {py:obj}`apply_external_pressure <airsspy.ranking.apply_external_pressure>`
  - ```{autodoc2-docstring} airsspy.ranking.apply_external_pressure
    :summary:
    ```
* - {py:obj}`filter_by_name <airsspy.ranking.filter_by_name>`
  - ```{autodoc2-docstring} airsspy.ranking.filter_by_name
    :summary:
    ```
* - {py:obj}`filter_by_formula <airsspy.ranking.filter_by_formula>`
  - ```{autodoc2-docstring} airsspy.ranking.filter_by_formula
    :summary:
    ```
* - {py:obj}`filter_by_formula_units <airsspy.ranking.filter_by_formula_units>`
  - ```{autodoc2-docstring} airsspy.ranking.filter_by_formula_units
    :summary:
    ```
* - {py:obj}`filter_by_species_number <airsspy.ranking.filter_by_species_number>`
  - ```{autodoc2-docstring} airsspy.ranking.filter_by_species_number
    :summary:
    ```
* - {py:obj}`filter_by_ions_number <airsspy.ranking.filter_by_ions_number>`
  - ```{autodoc2-docstring} airsspy.ranking.filter_by_ions_number
    :summary:
    ```
* - {py:obj}`fill_missing_spacegroups <airsspy.ranking.fill_missing_spacegroups>`
  - ```{autodoc2-docstring} airsspy.ranking.fill_missing_spacegroups
    :summary:
    ```
* - {py:obj}`fill_dict_symm <airsspy.ranking.fill_dict_symm>`
  - ```{autodoc2-docstring} airsspy.ranking.fill_dict_symm
    :summary:
    ```
* - {py:obj}`read_res_stream <airsspy.ranking.read_res_stream>`
  - ```{autodoc2-docstring} airsspy.ranking.read_res_stream
    :summary:
    ```
* - {py:obj}`read_res_file <airsspy.ranking.read_res_file>`
  - ```{autodoc2-docstring} airsspy.ranking.read_res_file
    :summary:
    ```
* - {py:obj}`read_extxyz_file <airsspy.ranking.read_extxyz_file>`
  - ```{autodoc2-docstring} airsspy.ranking.read_extxyz_file
    :summary:
    ```
* - {py:obj}`eliminate_similar <airsspy.ranking.eliminate_similar>`
  - ```{autodoc2-docstring} airsspy.ranking.eliminate_similar
    :summary:
    ```
* - {py:obj}`infer_elements <airsspy.ranking.infer_elements>`
  - ```{autodoc2-docstring} airsspy.ranking.infer_elements
    :summary:
    ```
* - {py:obj}`check_elemental_references <airsspy.ranking.check_elemental_references>`
  - ```{autodoc2-docstring} airsspy.ranking.check_elemental_references
    :summary:
    ```
* - {py:obj}`records_to_pd_entries <airsspy.ranking.records_to_pd_entries>`
  - ```{autodoc2-docstring} airsspy.ranking.records_to_pd_entries
    :summary:
    ```
* - {py:obj}`maxwell_construction <airsspy.ranking.maxwell_construction>`
  - ```{autodoc2-docstring} airsspy.ranking.maxwell_construction
    :summary:
    ```
* - {py:obj}`prefilter_records <airsspy.ranking.prefilter_records>`
  - ```{autodoc2-docstring} airsspy.ranking.prefilter_records
    :summary:
    ```
* - {py:obj}`prune_pathological_records <airsspy.ranking.prune_pathological_records>`
  - ```{autodoc2-docstring} airsspy.ranking.prune_pathological_records
    :summary:
    ```
* - {py:obj}`rank_structures <airsspy.ranking.rank_structures>`
  - ```{autodoc2-docstring} airsspy.ranking.rank_structures
    :summary:
    ```
* - {py:obj}`summary_structures <airsspy.ranking.summary_structures>`
  - ```{autodoc2-docstring} airsspy.ranking.summary_structures
    :summary:
    ```
* - {py:obj}`format_header <airsspy.ranking.format_header>`
  - ```{autodoc2-docstring} airsspy.ranking.format_header
    :summary:
    ```
* - {py:obj}`format_rank_line <airsspy.ranking.format_rank_line>`
  - ```{autodoc2-docstring} airsspy.ranking.format_rank_line
    :summary:
    ```
* - {py:obj}`plot_maxwell <airsspy.ranking.plot_maxwell>`
  - ```{autodoc2-docstring} airsspy.ranking.plot_maxwell
    :summary:
    ```
* - {py:obj}`format_maxwell_header <airsspy.ranking.format_maxwell_header>`
  - ```{autodoc2-docstring} airsspy.ranking.format_maxwell_header
    :summary:
    ```
* - {py:obj}`format_maxwell_line <airsspy.ranking.format_maxwell_line>`
  - ```{autodoc2-docstring} airsspy.ranking.format_maxwell_line
    :summary:
    ```
````

### Data

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

* - {py:obj}`logger <airsspy.ranking.logger>`
  - ```{autodoc2-docstring} airsspy.ranking.logger
    :summary:
    ```
````

### API

````{py:data} logger
:canonical: airsspy.ranking.logger
:value: >
   'getLogger(...)'

```{autodoc2-docstring} airsspy.ranking.logger
```

````

`````{py:class} StructureRecord
:canonical: airsspy.ranking.StructureRecord

```{autodoc2-docstring} airsspy.ranking.StructureRecord
```

````{py:attribute} label
:canonical: airsspy.ranking.StructureRecord.label
:type: str
:value: >
   None

```{autodoc2-docstring} airsspy.ranking.StructureRecord.label
```

````

````{py:attribute} pressure
:canonical: airsspy.ranking.StructureRecord.pressure
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.ranking.StructureRecord.pressure
```

````

````{py:attribute} volume
:canonical: airsspy.ranking.StructureRecord.volume
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.ranking.StructureRecord.volume
```

````

````{py:attribute} enthalpy
:canonical: airsspy.ranking.StructureRecord.enthalpy
:type: float
:value: >
   None

```{autodoc2-docstring} airsspy.ranking.StructureRecord.enthalpy
```

````

````{py:attribute} spin
:canonical: airsspy.ranking.StructureRecord.spin
:type: float
:value: >
   0.0

```{autodoc2-docstring} airsspy.ranking.StructureRecord.spin
```

````

````{py:attribute} spin_abs
:canonical: airsspy.ranking.StructureRecord.spin_abs
:type: float
:value: >
   0.0

```{autodoc2-docstring} airsspy.ranking.StructureRecord.spin_abs
```

````

````{py:attribute} natoms
:canonical: airsspy.ranking.StructureRecord.natoms
:type: int
:value: >
   0

```{autodoc2-docstring} airsspy.ranking.StructureRecord.natoms
```

````

````{py:attribute} symm
:canonical: airsspy.ranking.StructureRecord.symm
:type: str
:value: <Multiline-String>

```{autodoc2-docstring} airsspy.ranking.StructureRecord.symm
```

````

````{py:attribute} species_counts
:canonical: airsspy.ranking.StructureRecord.species_counts
:type: dict[str, int]
:value: >
   'field(...)'

```{autodoc2-docstring} airsspy.ranking.StructureRecord.species_counts
```

````

````{py:attribute} copies
:canonical: airsspy.ranking.StructureRecord.copies
:type: int
:value: >
   1

```{autodoc2-docstring} airsspy.ranking.StructureRecord.copies
```

````

````{py:attribute} source
:canonical: airsspy.ranking.StructureRecord.source
:type: str
:value: <Multiline-String>

```{autodoc2-docstring} airsspy.ranking.StructureRecord.source
```

````

````{py:property} reduced_formula
:canonical: airsspy.ranking.StructureRecord.reduced_formula
:type: str

```{autodoc2-docstring} airsspy.ranking.StructureRecord.reduced_formula
```

````

````{py:property} n_formula_units
:canonical: airsspy.ranking.StructureRecord.n_formula_units
:type: int

```{autodoc2-docstring} airsspy.ranking.StructureRecord.n_formula_units
```

````

````{py:property} enthalpy_per_fu
:canonical: airsspy.ranking.StructureRecord.enthalpy_per_fu
:type: float

```{autodoc2-docstring} airsspy.ranking.StructureRecord.enthalpy_per_fu
```

````

````{py:property} volume_per_fu
:canonical: airsspy.ranking.StructureRecord.volume_per_fu
:type: float

```{autodoc2-docstring} airsspy.ranking.StructureRecord.volume_per_fu
```

````

`````

````{py:function} apply_external_pressure(records: list[airsspy.ranking.StructureRecord], pressure_gpa: float) -> None
:canonical: airsspy.ranking.apply_external_pressure

```{autodoc2-docstring} airsspy.ranking.apply_external_pressure
```
````

````{py:function} filter_by_name(records: list[airsspy.ranking.StructureRecord], pattern: str) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.filter_by_name

```{autodoc2-docstring} airsspy.ranking.filter_by_name
```
````

````{py:function} filter_by_formula(records: list[airsspy.ranking.StructureRecord], formula: str) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.filter_by_formula

```{autodoc2-docstring} airsspy.ranking.filter_by_formula
```
````

````{py:function} filter_by_formula_units(records: list[airsspy.ranking.StructureRecord], n_formula_units: int) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.filter_by_formula_units

```{autodoc2-docstring} airsspy.ranking.filter_by_formula_units
```
````

````{py:function} filter_by_species_number(records: list[airsspy.ranking.StructureRecord], species_number: int) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.filter_by_species_number

```{autodoc2-docstring} airsspy.ranking.filter_by_species_number
```
````

````{py:function} filter_by_ions_number(records: list[airsspy.ranking.StructureRecord], ions_number: int) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.filter_by_ions_number

```{autodoc2-docstring} airsspy.ranking.filter_by_ions_number
```
````

````{py:function} fill_missing_spacegroups(records: list[airsspy.ranking.StructureRecord], symprec: float = 0.01) -> None
:canonical: airsspy.ranking.fill_missing_spacegroups

```{autodoc2-docstring} airsspy.ranking.fill_missing_spacegroups
```
````

````{py:function} fill_dict_symm(dicts: list[dict], symprec: float = 0.01) -> None
:canonical: airsspy.ranking.fill_dict_symm

```{autodoc2-docstring} airsspy.ranking.fill_dict_symm
```
````

````{py:function} read_res_stream(stream: typing.TextIO) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.read_res_stream

```{autodoc2-docstring} airsspy.ranking.read_res_stream
```
````

````{py:function} read_res_file(path: str) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.read_res_file

```{autodoc2-docstring} airsspy.ranking.read_res_file
```
````

````{py:function} read_extxyz_file(path: str, energy_field: str | None = None, label_field: str | None = None, pressure_field: str | None = None) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.read_extxyz_file

```{autodoc2-docstring} airsspy.ranking.read_extxyz_file
```
````

````{py:function} eliminate_similar(records: list[airsspy.ranking.StructureRecord], threshold: float, cutoff: float = 4.0, zweight: bool = False) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.eliminate_similar

```{autodoc2-docstring} airsspy.ranking.eliminate_similar
```
````

````{py:function} infer_elements(records: list[airsspy.ranking.StructureRecord]) -> list[str]
:canonical: airsspy.ranking.infer_elements

```{autodoc2-docstring} airsspy.ranking.infer_elements
```
````

````{py:function} check_elemental_references(records: list[airsspy.ranking.StructureRecord], elements: list[str]) -> list[str]
:canonical: airsspy.ranking.check_elemental_references

```{autodoc2-docstring} airsspy.ranking.check_elemental_references
```
````

````{py:function} records_to_pd_entries(records: list[airsspy.ranking.StructureRecord]) -> list
:canonical: airsspy.ranking.records_to_pd_entries

```{autodoc2-docstring} airsspy.ranking.records_to_pd_entries
```
````

````{py:function} maxwell_construction(records: list[airsspy.ranking.StructureRecord], elements: list[str] | None = None, delta_e: float | None = None, verbose: bool = True) -> tuple[list[dict], object]
:canonical: airsspy.ranking.maxwell_construction

```{autodoc2-docstring} airsspy.ranking.maxwell_construction
```
````

````{py:function} prefilter_records(records: list[airsspy.ranking.StructureRecord], ethresh: float = 0.1) -> list[airsspy.ranking.StructureRecord]
:canonical: airsspy.ranking.prefilter_records

```{autodoc2-docstring} airsspy.ranking.prefilter_records
```
````

````{py:function} prune_pathological_records(records: list[airsspy.ranking.StructureRecord], tail_fraction: float = 0.1, sigma_factor: float = 3.0, trim_count: int = 1, min_tail_size: int = 5) -> tuple[list[airsspy.ranking.StructureRecord], list[airsspy.ranking.StructureRecord], list[dict]]
:canonical: airsspy.ranking.prune_pathological_records

```{autodoc2-docstring} airsspy.ranking.prune_pathological_records
```
````

````{py:function} rank_structures(records: list[airsspy.ranking.StructureRecord], delta_e: float | None = None, top_n: int | None = None, absolute: bool = False) -> list[dict]
:canonical: airsspy.ranking.rank_structures

```{autodoc2-docstring} airsspy.ranking.rank_structures
```
````

````{py:function} summary_structures(records: list[airsspy.ranking.StructureRecord], delta_e: float | None = None) -> list[dict]
:canonical: airsspy.ranking.summary_structures

```{autodoc2-docstring} airsspy.ranking.summary_structures
```
````

````{py:function} format_header(show_spin: bool = False, summary_mode: bool = False, long_labels: bool = False) -> str
:canonical: airsspy.ranking.format_header

```{autodoc2-docstring} airsspy.ranking.format_header
```
````

````{py:function} format_rank_line(rec: dict, long_labels: bool = False, show_spin: bool = False, summary_mode: bool = False) -> str
:canonical: airsspy.ranking.format_rank_line

```{autodoc2-docstring} airsspy.ranking.format_rank_line
```
````

````{py:function} plot_maxwell(ranked: list[dict], elements: list[str]) -> object
:canonical: airsspy.ranking.plot_maxwell

```{autodoc2-docstring} airsspy.ranking.plot_maxwell
```
````

````{py:function} format_maxwell_header(show_spin: bool = False, long_labels: bool = False) -> str
:canonical: airsspy.ranking.format_maxwell_header

```{autodoc2-docstring} airsspy.ranking.format_maxwell_header
```
````

````{py:function} format_maxwell_line(rec: dict, long_labels: bool = False, show_spin: bool = False) -> str
:canonical: airsspy.ranking.format_maxwell_line

```{autodoc2-docstring} airsspy.ranking.format_maxwell_line
```
````