option to plot lines just within measured point boundaries (#60)

Added the ``draw_in_bounds`` option to the curve plotting so that curves never are plotted outside the data range. Addresses [this issue](#59).

CHANGELOG.rst

@@ -6,12 +6,19 @@ All notable changes to this project will be documented in this file.
 
 The format is based on `Keep a Changelog <https://keepachangelog.com>`_.
 
+2.1.0
+-----
+
+Added
++++++
+- Added the ``draw_in_bounds`` option to the curve plotting so that curves never are plotted outside the data range. Addresses [this issue](https://github.com/jbloomlab/neutcurve/issues/59).
+
 2.0.1
 -----
 
 Fixed
 +++++
-- Don't throw an uninterprtable error if ``CurveFits.fitParams`` called with no curves, instead just return empty data frame.
+- Don't throw an uninterpretable error if ``CurveFits.fitParams`` called with no curves, instead just return empty data frame.
 
 2.0.0
 -----

neutcurve/__init__.py

@@ -16,7 +16,7 @@
 
 __author__ = "Jesse Bloom"
 __email__ = "[email protected]"
-__version__ = "2.0.1"
+__version__ = "2.1.0"
 __url__ = "https://github.com/jbloomlab/neutcurve"
 
 from neutcurve.curvefits import CurveFits  # noqa: F401

neutcurve/curvefits.py

@@ -1243,6 +1243,7 @@ def plotGrid(
         sharex=True,
         sharey=True,
         vlines=None,
+        draw_in_bounds=False,
     ):
         """Plot arbitrary grid of curves.
 
@@ -1318,6 +1319,8 @@ def plotGrid(
                 Values are lists of dicts with a key 'x' giving the x-location
                 of the vertical line, and optionally keys 'linewidth',
                 'color', and 'linestyle'.
+            `draw_in_bounds` (bool)
+                Same meaning as for meth:`neutcurve.hillcurve.HillCurve.plot`.
 
         Returns:
             The 2-tuple `(fig, axes)` of matplotlib figure and 2D axes array.
@@ -1468,6 +1471,7 @@ def plotGrid(
                     xlabel=ixlabel,
                     ylabel=iylabel,
                     yticklocs=yticklocs,
+                    draw_in_bounds=draw_in_bounds,
                     **kwargs,
                 )
                 label = curvedict["label"]

neutcurve/hillcurve.py

@@ -1203,6 +1203,7 @@ def plot(
         linewidth=1,
         linestyle="-",
         yticklocs=None,
+        draw_in_bounds=False,
     ):
         """Plot the neutralization curve.
 
@@ -1229,12 +1230,16 @@ def plot(
                 Line style.
             `yticklocs` (`None` or list)
                 Exact locations to place yticks; `None` means auto-locate.
+            `draw_in_bounds` (bool)
+                By default, the plotted curve extends a bit outside the actual
+                data points on both sides. If this is set to `True`, then the
+                plotted curve stops at the bounds of the data points.
 
         Returns:
             The 2-tuple `(fig, ax)` giving the matplotlib figure and axis.
 
         """
-        data = self.dataframe(concentrations)
+        data = self.dataframe(concentrations, extend=0 if draw_in_bounds else 0.1)
 
         if ax is None:
             fig, ax = plt.subplots()
@@ -1282,7 +1287,7 @@ def plot(
 
         return fig, ax
 
-    def dataframe(self, concentrations="auto"):
+    def dataframe(self, concentrations="auto", extend=0.1):
         """Get data frame with curve data for plotting.
 
         Useful if you want to get both the points and the fit
@@ -1294,6 +1299,9 @@ def dataframe(self, concentrations="auto"):
                 If 'auto' the automatically computed from data
                 range using :func:`concentrationRange`. If
                 'measured' then only include measured values.
+            `extend` (float)
+                The value passed to :func:`concentrationRange` if `concentrations`
+                is 'auto'.
 
         Returns:
             A pandas DataFrame with the following columns:
@@ -1306,7 +1314,7 @@ def dataframe(self, concentrations="auto"):
 
         """
         if concentrations == "auto":
-            concentrations = concentrationRange(self.cs[0], self.cs[-1])
+            concentrations = concentrationRange(self.cs[0], self.cs[-1], extend=extend)
         elif concentrations == "measured":
             concentrations = []
         concentrations = numpy.concatenate([self.cs, concentrations])