Fix fitParams when only some concentrations have replicates (#37)

* Fix `fitParams` when only some concentrations have replicates

* lint Jupyter notebooks w `nbqa ruff`

.github/workflows/test.yml

@@ -28,6 +28,9 @@ jobs:
       - name: lint code with ruff
         run: ruff check .
 
+      - name: lint Jupyter notebooks with ruff
+        run: nbqa ruff .
+
       - name: check code format with black
         run: black --check .
 

CHANGELOG.rst

@@ -6,6 +6,13 @@ All notable changes to this project will be documented in this file.
 
 The format is based on `Keep a Changelog <https://keepachangelog.com>`_.
 
+0.7.0
+-----
+
+Fixed
++++++
+- Fixed problem in ``fitParams`` when only some concentrations have replicates.
+
 0.6.0
 ------
 

neutcurve/__init__.py

@@ -16,7 +16,7 @@
 
 __author__ = "Jesse Bloom"
 __email__ = "[email protected]"
-__version__ = "0.6.0"
+__version__ = "0.7.0"
 __url__ = "https://github.com/jbloomlab/neutcurve"
 
 from neutcurve.curvefits import CurveFits  # noqa: F401

neutcurve/curvefits.py

@@ -232,10 +232,8 @@ def getCurve(self, *, serum, virus, replicate):
             if len(idata) < 1:
                 raise RuntimeError(f"no data for serum {serum} virus {virus}")
 
-            if idata["stderr"].isna().all():
-                fs_stderr = None
-            elif idata["stderr"].isna().any():
-                raise RuntimeError("`stderr` has only some entries NaN\n" + str(idata))
+            if idata["stderr"].isna().any():
+                fs_stderr = None  # cannot use stderr if any concentrations lack it
             else:
                 fs_stderr = idata["stderr"]