Merge pull request #74 from dschwoerer/devel

Version 0.2.4

.github/workflows/test-python-package.yml

@@ -37,8 +37,11 @@ jobs:
     timeout-minutes: 15
     strategy:
       matrix:
-        python-version: ['3.6', '3.7', '3.8', '3.9', '3.10']
+        python-version: ['3.7', '3.8', '3.9', '3.10', '3.11']
         extra-install: ["", "numba"]
+        exclude:
+          - python-version: '3.11'
+            extra-install: 'numba'
       fail-fast: false
 
     steps:

xemc3/core/dataset.py

@@ -1,5 +1,5 @@
 import warnings
-from typing import Any, Mapping, Union
+from typing import Any, Mapping, Union, Optional
 import sys
 
 if sys.version_info >= (3, 8):
@@ -236,7 +236,10 @@ def iter_plates(self, *, symmetry=False, segments=1):
             for key in var_list:
                 ds[key] = var_list[key][i]
             if len(phid.shape) == 1:
-                assert phid.shape == xd.shape
+                assert phid.shape == xd.shape, (
+                    f"Expected phi.shape = {phid.shape} == x.shape = {xd.shape} to match."
+                    + utils.raise_issue
+                )
                 for j in range(ds.dims["plate_ind"]):
                     yield ds.isel(
                         plate_ind=j, **{k: slice(None, v[j]) for k, v in crop.items()}
@@ -395,7 +398,6 @@ def plot(self, key, *args, **kw):
         from . import plot_3d
 
         if "plate_ind" in self.data.dims:
-            # assert args == []
             return plot_3d.divertor(self.data, key, *args, **kw)
 
         init = {}
@@ -437,7 +439,7 @@ def mean_time(self) -> xr.Dataset:
 
     def isel(
         self,
-        indexers: Mapping[str, Any] = None,
+        indexers: Optional[Mapping[str, Any]] = None,
         drop: bool = False,
         missing_dims: Union[
             Literal["raise"], Literal["warn"], Literal["ignore"]
@@ -478,7 +480,7 @@ def isel(
 
     def sel(
         self,
-        indexers: Mapping[str, Any] = None,
+        indexers: Optional[Mapping[str, Any]] = None,
         drop: bool = False,
         missing_dims: str = "raise",
         **indexers_kwargs: Any,
@@ -489,7 +491,9 @@ def sel(
         for k in indexers.keys():
             val = indexers[k]
             if "delta_" + k in ds.dims and k + "_bounds" in ds:
-                assert k in ds.dims
+                assert (
+                    k in ds.dims
+                ), f"Expected {k} in {ds.dims} - maybe you already selected in {k} dim?"
                 assert (
                     len(ds[k + "_bounds"].dims) == 2
                 ), "Only 1D bounds are currently supported. Maybe try isel."
@@ -513,7 +517,9 @@ def sel(
             else:
                 forisel[k] = val
         ds = ds.emc3.isel(forisel)
-        assert isinstance(ds, xr.Dataset)
+        assert isinstance(
+            ds, xr.Dataset
+        ), f"Expected to have an xr.Dataset, but instead got {type(ds)}"
         return ds
 
     def evaluate_at_xyz(self, x, y, z, *args, **kwargs):
@@ -533,7 +539,7 @@ def evaluate_at_rpz(
         key=None,
         periodicity: int = 5,
         updownsym: bool = True,
-        delta_phi: float = None,
+        delta_phi: Optional[float] = None,
         fill_value=None,
         lazy=False,
         progress=False,

xemc3/core/depo.py

@@ -3,7 +3,7 @@
 import re
 import typing
 
-from .utils import rrange
+from .utils import rrange, raise_issue
 
 
 if 0:
@@ -86,7 +86,10 @@ def read_depo_raw(ds: xr.Dataset, fn: str) -> typing.List[xr.DataArray]:
 
     with open(fn) as f:
         line = f.readline().split()
-        assert len(line) == 2
+        assert len(line) == 2, (
+            f"Unexpected: `{line}` at start of `{fn}` - expected 2 elements"
+            + raise_issue
+        )
         blockasize = int(line[0])
         # Lines look like this:
         # Index
@@ -110,21 +113,28 @@ def read_depo_raw(ds: xr.Dataset, fn: str) -> typing.List[xr.DataArray]:
             line = bad.sub(r"\1E\2", f.readline()).split()
             ints = [int(x) for x in line[:7]]
             floats = [float(x) for x in line[7:]]
-            assert (
-                ints[0] == i + 1
-            ), f"Expected first index to be contigous, thus expected {i+1} but got {ints[0]}"
-            assert ints[1] == 3, f"Expected 3 but got {ints[1]}"
+            assert ints[0] == i + 1, (
+                f"Expected first index to be contigous, thus expected {i+1} but got {ints[0]} while reading {fn}"
+                + raise_issue
+            )
+            assert ints[1] == 3, (
+                f"Expected 3 but got {ints[1]} while reading `{fn}`." + raise_issue
+            )
             # print(ints[3:])
             if haszone:
                 slc = tuple(ints[3:])
             else:
-                assert ints[3] == 0, f"Expected zoneid=0 but got {ints[3]}"
+                assert ints[3] == 0, (
+                    f"Expected zoneid=0 but got {ints[3]}" + raise_issue
+                )
                 slc = tuple(ints[4:])
 
             for name, val in zip(varnames, (ints[2] == 1, floats[0])):
                 out[name][slc] = val
             if last:
-                assert not out["surftype"][last]
+                assert not out["surftype"][last], (
+                    f"Unexpected input in `{fn}`." + raise_issue
+                )
             if ints[2] != 1:
                 last = slc
             # print("a", out["surftype"][slc], ints[2] == 1)
@@ -148,11 +158,11 @@ def read_depo_raw(ds: xr.Dataset, fn: str) -> typing.List[xr.DataArray]:
                 break
             ints = [int(x) for x in line[:7]]
             floats = [float(x) for x in line[7:]]
-            assert ints[1] == 3, f"Expected 3 but got {ints[1]}"
+            assert ints[1] == 3, f"Expected 3 but got {ints[1]}" + raise_issue
             if haszone:
                 slc = tuple(ints[3:])
             else:
-                assert ints[3] == 0
+                assert ints[3] == 0, f"Unexpected input in {fn} `line`." + raise_issue
                 slc = tuple(ints[4:])
             for name, val in zip(varnames, (ints[2] == 1, floats[0])):
                 out2[name][slc] = val
@@ -164,11 +174,11 @@ def read_depo_raw(ds: xr.Dataset, fn: str) -> typing.List[xr.DataArray]:
                     out2["other"][j][slc] = floats[j + 1]
 
     if sparse:
-        assert any([d.nnz for d in out["other"]]) == hasother
-        assert any([d.nnz for d in out2["other"]]) == hasother2
+        assert any([d.nnz for d in out["other"]]) == hasother, raise_issue
+        assert any([d.nnz for d in out2["other"]]) == hasother2, raise_issue
     # if not hasother:
     # out["other"] = []
-    assert not hasother2
+    assert not hasother2, raise_issue
     out2["other"] = []
 
     ret = [
@@ -178,8 +188,8 @@ def read_depo_raw(ds: xr.Dataset, fn: str) -> typing.List[xr.DataArray]:
         xr.DataArray(data=tocoo(d), dims=dims)
         for d in [out2["surftype"], out2["flux"], *out2["other"]]
     ]
-    assert len(ret[0]) == 6, f"{len(ret[0])}"
-    assert len(ret[1]) == 2
+    assert len(ret[0]) == 6, f"Expected 6 items but got {len(ret[0])}." + raise_issue
+    assert len(ret[1]) == 2, raise_issue
     return ret[0] + ret[1]
 
 
@@ -208,7 +218,9 @@ def write_depo_raw_part(datas, f, i):
 
 
 def write_depo_raw(datas, fn):
-    assert len(datas) == 8, f"Expected 8 data entries, but got { len(datas) }"
+    assert len(datas) == 8, (
+        f"Expected 8 data entries, but got { len(datas) }" + raise_issue
+    )
     datas = datas[:6], datas[6:]
     i = 0
     with open(fn, "w") as f:

xemc3/core/evaluate_at.py

@@ -9,7 +9,6 @@
 
 
 def _evaluate_get_keys(ds, r, phi, z, periodicity, updownsym, delta_phi, progress):
-
     with warnings.catch_warnings():
         warnings.filterwarnings("ignore", "invalid value encountered in remainder")
         phi = phi % (np.pi * 2 / periodicity)