Merge branch 'master' of https://github.com/QChASM/SEQCROW

Author: ajs99778

bundle_info.xml

@@ -572,9 +572,9 @@
        </Classifiers>
 
     <AdditionalPackages>
-        <Package name="AaronTools" folder="C:\Users\ajs99778\Documents\GitHub\AaronTools"/>
-        <!--
         <Package name="AaronTools" folder="C:\Users\normn\Documents\GitHub\AaronTools"/>
+        <!--
+        <Package name="AaronTools" folder="C:\Users\ajs99778\Documents\GitHub\AaronTools"/>
         <Package name="AaronTools" folder="/home/tschaefer/QChASM/AaronTools"/>
         <Package name="AaronTools" folder="C:\Users\normn\Documents\GitHub\AaronTools"/>
         <Package name="AaronTools.test" folder="C:\Users\normn\Documents\GitHub\AaronTools\test"/>

src/jobs.py

@@ -144,16 +144,33 @@ def write_file(self, filename):
                 outname = os.path.basename(fname)
                 item = item.replace("{{ name }}", name)
                 self.input_files.append(fname)
-                with open(fname, "w") as f:
-                    f.write(item)
+                for try_encoding in [None, "utf-8", "utf-16"]:
+                    try:
+                        with open(fname, "w", encoding=try_encoding) as f:
+                            f.write(item)
+                            break
+                    except UnicodeEncodeError as e:
+                        continue
+                else:
+                    with open(fname, "w", errors="replace") as f:
+                        f.write(contents)
+
         else:
             outname = os.path.basename(filename)
             name, ext = os.path.splitext(outname)
             contents = contents.replace("{{ name }}", name)
             self.input_files.append(filename)
-            with open(filename, "w") as f:
-                f.write(contents)
-    
+            for try_encoding in [None, "utf-8", "utf-16"]:
+                try:
+                    with open(fname, "w", encoding=try_encoding) as f:
+                        f.write(contents)
+                        break
+                except UnicodeEncodeError as e:
+                    continue
+            else:
+                with open(fname, "w", errors="replace") as f:
+                    f.write(contents)
+                    
     def get_json(self):
         from AaronTools.geometry import Geometry
 
@@ -1097,16 +1114,33 @@ def write_file(self, filename, **kwargs):
                 outname = os.path.basename(fname)
                 item = item.replace("{{ name }}", name)
                 self.input_files.append(fname)
-                with open(fname, "w") as f:
-                    f.write(item)
+                for try_encoding in [None, "utf-8", "utf-16"]:
+                    try:
+                        with open(fname, "w", encoding=try_encoding) as f:
+                            f.write(item)
+                            break
+                    except UnicodeEncodeError as e:
+                        continue
+                else:
+                    with open(fname, "w", errors="replace") as f:
+                        f.write(contents)
+
         else:
             outname = os.path.basename(filename)
             name, ext = os.path.splitext(outname)
             contents = contents.replace("{{ name }}", name)
             self.input_files.append(filename)
-            with open(filename, "w") as f:
-                f.write(contents)
-    
+            for try_encoding in [None, "utf-8", "utf-16"]:
+                try:
+                    with open(fname, "w", encoding=try_encoding) as f:
+                        f.write(contents)
+                        break
+                except UnicodeEncodeError as e:
+                    continue
+            else:
+                with open(fname, "w", errors="replace") as f:
+                    f.write(contents)
+
     def get_json(self):
         d = super().get_json()
         d.pop("geometry")
@@ -1206,15 +1240,32 @@ def write_file(self, filename, **kwargs):
                 outname = os.path.basename(fname)
                 item = item.replace("{{ name }}", name)
                 self.input_files.append(fname)
-                with open(fname, "w") as f:
-                    f.write(item)
+                for try_encoding in [None, "utf-8", "utf-16"]:
+                    try:
+                        with open(fname, "w", encoding=try_encoding) as f:
+                            f.write(item)
+                            break
+                    except UnicodeEncodeError as e:
+                        continue
+                else:
+                    with open(fname, "w", errors="replace") as f:
+                        f.write(contents)
+
         else:
             outname = os.path.basename(filename)
             name, ext = os.path.splitext(outname)
             contents = contents.replace("{{ name }}", name)
             self.input_files.append(filename)
-            with open(filename, "w") as f:
-                f.write(contents)
+            for try_encoding in [None, "utf-8", "utf-16"]:
+                try:
+                    with open(fname, "w", encoding=try_encoding) as f:
+                        f.write(contents)
+                        break
+                except UnicodeEncodeError as e:
+                    continue
+            else:
+                with open(fname, "w", errors="replace") as f:
+                    f.write(contents)
 
     def get_json(self):
         d = super().get_json()

src/tools/percent_Vbur.py

@@ -868,14 +868,14 @@ def set_data(
         cmap.set_under('w')
         steric_map = ax.contourf(
             x, y, z,
-            extend="min",
+            extend="both",
             cmap=cmap,
             levels=np.linspace(min_alt, max_alt, num=levels)
         )
         if contour_lines:
             ax.contour(
                 x, y, z,
-                extend="min",
+                extend="both",
                 colors='k',
                 levels=np.linspace(min_alt, max_alt, num=levels)
             )