SimuBox.artist.phase module

class SimuBox.artist.phase.PhaseDiagram(path: Path | str, xlabel: str, ylabel: str, colors: dict | None = None, labels: dict | None = None)

基类：object

boundary_detect(comp_res: PhaseCompareResult, mode: DetectionMode = DetectionMode.BOTH, ignore: list[str] | str | None = None, **kwargs)

classmethod check_phase(point: Point, point_other: Point | None = None, ignore: list[str] | str | None = None)

static checkin(phases: Sequence, candidates: Sequence)

检查相结构是否属于备选结构。

参数:

• phases –

• candidates –

返回:

compare(path: Path | str, plot: bool = True, accuracy: int = 3, xlabel: str | None = None, ylabel: str | None = None, verbose: bool = True, operation: Operation | Sequence[Operation] | None = None, subset: str | Sequence[str] | None = ('phase', 'freeE'), figsize: Sequence[int] = (8, 6), interactive: bool = True, **kwargs)

static cross_point(x1: int | float, y1: int | float, x2: int | float, y2: int | float, x3: int | float, y3: int | float, x4: int | float, y4: int | float)

两点确定直线，计算两条直线之间的交点。 (x1, y1), (x2, y2)为第一条直线的两点。 (x3, y3), (x4, y4)为第二条直线的两点。 y一般对应自由能的数值。

参数:

• x1 –

• y1 –

• x2 –

• y2 –

• x3 –

• y3 –

• x4 –

• y4 –

返回:

static de_unknown(comp_res: PhaseCompareResult)

将相结构名称前缀中的unknown去掉。

参数:

comp_res –

返回:

static draw_line(xys: ndarray, ax: Axes | None = None, annotation: dict | None = None, inverse: bool = False)

extract_edge(mat: ndarray, mode: DetectionMode = DetectionMode.INTERP, factor: float = 0.5, axis: int = 1, ignore: list[str] | str | None = None, **kwargs)

query(data: DataFrame | Path | str, x: float | str | int | None = None, y: float | str | int | None = None, **kwargs)

对表格数据进行快速筛选

参数:

• data –

• x –

• y –

• kwargs –

返回:

scan(path: str | Path | None = None, filetype: Sequence[str] = '.csv', figsize: Sequence[int] = (8, 8), skip: Sequence[str] = (), extract: Sequence[str] = (), inverse: Sequence[str] = (), deunknown: Sequence[str] = (), annotation: dict | None = None, verbose: bool = True, **kwargs)