# {py:mod}`airsspy.analysis.collect` ```{py:module} airsspy.analysis.collect ``` ```{autodoc2-docstring} airsspy.analysis.collect :allowtitles: ``` ## Module Contents ### Functions ````{list-table} :class: autosummary longtable :align: left * - {py:obj}`read_stream ` - ```{autodoc2-docstring} airsspy.analysis.collect.read_stream :summary: ``` * - {py:obj}`read_ca ` - ```{autodoc2-docstring} airsspy.analysis.collect.read_ca :summary: ``` * - {py:obj}`collect_res_in_df ` - ```{autodoc2-docstring} airsspy.analysis.collect.collect_res_in_df :summary: ``` * - {py:obj}`combine_res_cryan ` - ```{autodoc2-docstring} airsspy.analysis.collect.combine_res_cryan :summary: ``` * - {py:obj}`get_minsep_range ` - ```{autodoc2-docstring} airsspy.analysis.collect.get_minsep_range :summary: ``` * - {py:obj}`get_entry ` - ```{autodoc2-docstring} airsspy.analysis.collect.get_entry :summary: ``` * - {py:obj}`export_dataframe_as_res ` - ```{autodoc2-docstring} airsspy.analysis.collect.export_dataframe_as_res :summary: ``` * - {py:obj}`get_pressure_gpa ` - ```{autodoc2-docstring} airsspy.analysis.collect.get_pressure_gpa :summary: ``` ```` ### API ````{py:function} read_stream(stream) -> tuple[list, list] :canonical: airsspy.analysis.collect.read_stream ```{autodoc2-docstring} airsspy.analysis.collect.read_stream ``` ```` ````{py:function} read_ca(lines: list[str]) -> pandas.DataFrame :canonical: airsspy.analysis.collect.read_ca ```{autodoc2-docstring} airsspy.analysis.collect.read_ca ``` ```` ````{py:function} collect_res_in_df(res_collection: list[airsspy.restools.RESFile], norm_mode: str = 'per_atom') -> pandas.DataFrame :canonical: airsspy.analysis.collect.collect_res_in_df ```{autodoc2-docstring} airsspy.analysis.collect.collect_res_in_df ``` ```` ````{py:function} combine_res_cryan(dframe: pandas.DataFrame, thres: float = 0.1, ntop: int = 30) -> pandas.DataFrame :canonical: airsspy.analysis.collect.combine_res_cryan ```{autodoc2-docstring} airsspy.analysis.collect.combine_res_cryan ``` ```` ````{py:function} get_minsep_range(minseps: list[dict[str, float]], cap: typing.Optional[tuple[float, float]] = None) -> dict[str, list[float]] :canonical: airsspy.analysis.collect.get_minsep_range ```{autodoc2-docstring} airsspy.analysis.collect.get_minsep_range ``` ```` ````{py:function} get_entry(dataframe: pandas.DataFrame, pmg_col: str = 'pmg_struct', label_col: str = 'label', uuid_col: str = 'uuid', umap_col: str = 'umap', xc_col: str = 'functional', eng_col: str = 'energy') -> list[pymatgen.entries.computed_entries.ComputedEntry] :canonical: airsspy.analysis.collect.get_entry ```{autodoc2-docstring} airsspy.analysis.collect.get_entry ``` ```` ````{py:function} export_dataframe_as_res(dataframe: pandas.DataFrame, comment: str = 'VASP export', extra_comments: typing.Optional[list] = None, stress_key: typing.Optional[str] = None) -> None :canonical: airsspy.analysis.collect.export_dataframe_as_res ```{autodoc2-docstring} airsspy.analysis.collect.export_dataframe_as_res ``` ```` ````{py:function} get_pressure_gpa(stress: typing.Union[list, numpy.ndarray]) -> float :canonical: airsspy.analysis.collect.get_pressure_gpa ```{autodoc2-docstring} airsspy.analysis.collect.get_pressure_gpa ``` ````