Increment epsilon for is_on_line

kmlefran · Sep 27, 2023 · d2274a6 · d2274a6
1 parent 4e70163
commit d2274a6
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/subproptools/__init__.py b/subproptools/__init__.py
@@ -4,4 +4,4 @@
 A plugin for extracting data from .sum files and manipuating them
 """
 
-__version__ = "0.2.12"
+__version__ = "0.2.13"
diff --git a/subproptools/qtaim_extract.py b/subproptools/qtaim_extract.py
@@ -471,7 +471,7 @@ def get_atom_vscc(
     return vscc_dict
 
 
-def _is_on_line(lineStartList, lineEndList, pointToCheckList, epsilon=0.1):
+def _is_on_line(lineStartList, lineEndList, pointToCheckList, epsilon=0.2):
     """Given 3d coords for start of line, end of line and point to check, sees if pointToCheck is on line"""
     # line connecting atoms: (x1 + t(x2-x1),y1 + t(y2-y1),z1 + t(z2-z1))
     # to reconstruct - create equations of lines. (pointToCheck-pointWitht) and (lineStart-pointWitht)