fix shape_mat to print data on std output or proper files when -o is …

…requested
GrupEstructuraElectronicaSimetria · Jun 4, 2023 · 38d26c1 · 38d26c1
1 parent 3d7a55f
commit 38d26c1
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Showing 2 changed files with 9 additions and 6 deletions.
diff --git a/cosymlib/__init__.py b/cosymlib/__init__.py
@@ -892,7 +892,7 @@ def get_path_parameters(self, shape_label1, shape_label2, central_atom=0):
 
     def print_minimum_distortion_path_shape(self, shape_label1, shape_label2, central_atom=0,
                                             min_dev=None, max_dev=None, min_gco=None, max_gco=None,
-                                            num_points=20, output=None):
+                                            num_points=20, output=sys.stdout):
         """
         Print the minimum distortion path
 
@@ -916,15 +916,14 @@ def print_minimum_distortion_path_shape(self, shape_label1, shape_label2, centra
         :type output1: hook
         """
 
-        if output is not None:
+        if output is not sys.stdout:
             output_name, file_extension = os.path.splitext(output.name)
             output1 = open(output_name + '_pth.csv', 'w')
             output2 = open(output_name + '_pth.xyz', 'w')
             output3 = output
         else:
-            output1 = sys.stdout
-            output2 = sys.stdout
-            output3 = sys.stdout
+            devnull = open(os.devnull, 'w')
+            output1 = output2 = output3 = devnull
 
         csm, devpath, gen_coord = self.get_path_parameters(shape_label1, shape_label2, central_atom=central_atom)
 

diff --git a/scripts/shape_map b/scripts/shape_map
@@ -164,8 +164,12 @@ if args.m_1 or args.m_custom_1:
                                                             num_points=args.n_points,
                                                             output=common_output)
 
-    plt.savefig('shape_map.png')
     if args.output_name is None:
         plt.show()
+    else:
+        import os
+        output_name, file_extension = os.path.splitext(args.output_name)
+
+        plt.savefig('{}_map.png'.format(output_name))
 
 print_footer(common_output)