Rework IOutput and add tests

MDANSE/Src/MDANSE/Framework/OutputVariables/IOutputVariable.py

@@ -15,13 +15,15 @@
 #
 
 import collections
+from collections.abc import Sequence
+from typing import Union, Tuple
 
 import numpy as np
+import numpy.typing as npt
 
-from MDANSE.Framework.Formats.IFormat import IFormat
 from MDANSE.Core.Error import Error
-
 from MDANSE.Core.SubclassFactory import SubclassFactory
+from MDANSE.Framework.Formats.IFormat import IFormat
 
 
 class OutputVariableError(Error):
@@ -50,39 +52,60 @@ class IOutputVariable(np.ndarray, metaclass=SubclassFactory):
     Those extra attributes will be contain information necessary for the the MDANSE plotter.
     """
 
+    DEFAULT_AXES = ("x", "y", "z")
+
     def __new__(
         cls,
-        value,
-        varname,
-        axis="index",
-        units="unitless",
-        main_result=False,
-        partial_result=False,
+        value: Union[Tuple[int, ...], npt.ArrayLike],
+        varname: str,
+        axis: Union[str, Sequence[str], None] = None,
+        units: str = "unitless",
+        *,
+        main_result: bool = False,
+        partial_result: bool = False,
     ):
+        """Instantiate a new MDANSE output variable.
+
+        Parameters
+        ----------
+        value : Union[Tuple[int, ...], npt.ArrayLike]
+            If value is tuple create empty array with those dimensions.
+
+            If value is ArrayLike interpret as array data.
+        varname : str
+            Variable name for reference.
+        axis : Union[str, Sequence[str], None]
+            List of axis labels. If str split on ``|``.
+        units : str
+            Units of main data.
+        main_result : bool
+            Whether the data are the main result of a calculation.
+        partial_result : bool
+            Whether the data are a complete calculation.
+
+        Raises
+        ------
+        OutputVariableError
+            If dimensions of provided data do not align with those of object.
         """
-        Instantiate a new MDANSE output variable.
-
-        @param cls: the class to instantiate.
-        @type cls: an OutputVariable object
-
-        @param varname: the name of the output variable.
-        @type varname: string
-
-        @param value: the input numpy array.
-        @type value: numpy array
-
-        @note: This is the standard implementation for subclassing a numpy array.
-        Please look at http://docs.scipy.org/doc/numpy/user/basics.subclassing.html for more information.
-        """
-
         if isinstance(value, tuple):
-            value = np.zeros(value, dtype=np.float64)
+            value = np.empty(value, dtype=np.float64)
         else:
             value = np.array(list(value), dtype=np.float64)
 
+        if isinstance(axis, str):
+            axis = tuple(axis.split("|"))
+        elif axis is None:
+            axis = cls.DEFAULT_AXES[: value.ndim]
+
         if value.ndim != cls._nDimensions:
             raise OutputVariableError(
-                f"Invalid number of dimensions for an output variable of type {cls.name!r}"
+                f"Invalid number of dimensions ({value.ndim}) for an output variable of type {cls.__name__!r}"
+            )
+
+        if len(axis) != cls._nDimensions:
+            raise OutputVariableError(
+                f"Invalid number of dimensions ({len(axis)}) for an axis label of type {cls.__name__!r}"
             )
 
         # Input array is an already formed ndarray instance
@@ -94,7 +117,7 @@ def __new__(
 
         obj.units = units
 
-        obj.axis = axis
+        obj.axis = "|".join(axis)
 
         obj.scaling_factor = 1.0
 

MDANSE/Tests/UnitTests/test_output_variable.py

@@ -0,0 +1,42 @@
+from contextlib import nullcontext as success
+
+import pytest
+from MDANSE.Framework.OutputVariables.IOutputVariable import (
+    IOutputVariable, OutputVariableError
+)
+
+DIM_FAIL = pytest.raises(OutputVariableError, match="Invalid number of dimensions")
+
+@pytest.mark.parametrize("var_type, data_size, extras, expected", [
+    ("LineOutputVariable", (), {}, DIM_FAIL),
+    ("LineOutputVariable", (1,), {}, success()),
+    ("LineOutputVariable", (1,2,), {}, DIM_FAIL),
+    ("LineOutputVariable", (1,2,3), {}, DIM_FAIL),
+    ("LineOutputVariable", (-1,), {}, pytest.raises(ValueError, match="negative dimension")),
+
+    ("SurfaceOutputVariable", (), {}, DIM_FAIL),
+    ("SurfaceOutputVariable", (1,), {}, DIM_FAIL),
+    ("SurfaceOutputVariable", (1,2,), {}, success()),
+    ("SurfaceOutputVariable", (1,2,3), {}, DIM_FAIL),
+    ("SurfaceOutputVariable", (-1,2), {}, pytest.raises(ValueError, match="negative dimension")),
+
+    ("VolumeOutputVariable", (), {}, DIM_FAIL),
+    ("VolumeOutputVariable", (1,), {}, DIM_FAIL),
+    ("VolumeOutputVariable", (1,2,), {}, DIM_FAIL),
+    ("VolumeOutputVariable", (1,2,3), {}, success()),
+    ("VolumeOutputVariable", (-1,2,3), {}, pytest.raises(ValueError, match="negative dimension")),
+
+    ("LineOutputVariable", (1,), {"axis": "time"}, success()),
+    ("LineOutputVariable", (1,), {"axis": ("time",)}, success()),
+    ("LineOutputVariable", (1,), {"axis": "q|omega"}, DIM_FAIL),
+    ("LineOutputVariable", (1,), {"axis": ("q", "omega")}, DIM_FAIL),
+
+    ("VolumeOutputVariable", (1,2,3), {"axis": "time"}, DIM_FAIL),
+    ("VolumeOutputVariable", (1,2,3), {"axis": ("time",)}, DIM_FAIL),
+    ("VolumeOutputVariable", (1,2,3), {"axis": "q|omega|x"}, success()),
+    ("VolumeOutputVariable", (1,2,3), {"axis": ("baa", "baa", "baa")}, success()),
+
+])
+def test_ioutput_variables(var_type, data_size, extras, expected):
+    with expected:
+        IOutputVariable.create(var_type, data_size, "test", **extras)