added stacked plot

ludwigc · Nov 8, 2023 · 6492c30 · 6492c30
1 parent b6a9d2d
commit 6492c30
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Showing 2 changed files with 17 additions and 12 deletions.
diff --git a/metabolabpy/nmr/nmrConfig.py b/metabolabpy/nmr/nmrConfig.py
@@ -35,6 +35,8 @@ def __init__(self):
         self.print_light_mode = True
         self.print_dataset_colours = False
         self.print_standard_colours = True
+        self.print_stacked_plot = False
+        self.print_auto_scale = False
         self.print_spc_linewidth = 2
         self.print_axes_linewidth = 2
         self.print_ticks_font_size = 10
@@ -52,6 +54,8 @@ def make_config(self):
         print_light_mode = 'yes' if self.print_light_mode is True else 'no'
         print_dataset_colours = 'yes' if self.print_dataset_colours is True else 'no'
         print_standard_colours = 'yes' if self.print_standard_colours is True else 'no'
+        print_stacked_plot = 'yes' if self.print_stacked_plot is True else 'no'
+        print_auto_scale = 'yes' if self.print_auto_scale is True else 'no'
         config['GUI'] = {'auto_plot': auto_plot,
                          'keep_zoom': keep_zoom,
                          'font_size': str(self.font_size),
@@ -81,7 +85,9 @@ def make_config(self):
                            'print_spc_linewidth': self.print_spc_linewidth,
                            'print_axes_linewidth': self.print_axes_linewidth,
                            'print_ticks_font_size': self.print_ticks_font_size,
-                           'print_label_font_size': self.print_label_font_size}
+                           'print_label_font_size': self.print_label_font_size,
+                           'print_stacked_plot': print_stacked_plot,
+                           'print_auto_scale': print_auto_scale}
         return config
 
     def save_config(self):
@@ -148,6 +154,12 @@ def set_print_dataset_colours(self, value):
     def set_print_standard_colours(self, value):
         self.print_standard_colours = True if value == "yes" else False
 
+    def set_print_stacked_plot(self, value):
+        self.print_stacked_plot = True if value == "yes" else False
+
+    def set_print_auto_scale(self, value):
+        self.print_auto_scale = True if value == "yes" else False
+
     def set_print_spc_linewidth(self, value):
         self.print_spc_linewidth = int(value)
 

diff --git a/metabolabpy/nmr/nmrDataSet.py b/metabolabpy/nmr/nmrDataSet.py
@@ -1367,18 +1367,11 @@ def read_spc(self, data_set_name='', data_set_number='', dataset=1):
         nd1.data_set_number = data_set_number
         nd1.read_spc()
         if nd1.acq.pul_prog_name.find('stddiff') > 0:
-            nd2 = nd.NmrData()
-            nd2.data_set_name = data_set_name
-            nd2.data_set_number = data_set_number
-            nd2.read_spc()
-            nd1.dim = 1
-            nd2.dim = 1
+            nd1.fid[0] -= nd1.fid[1]
             nd1.fid = np.copy(np.delete(nd1.fid, 1, 0))
-            nd2.fid = np.copy(np.delete(nd2.fid, 0, 0))
-            self.nmrdat[self.s].append(nd1)
-            self.nmrdat[self.s].append(nd2)
-        else:
-            self.nmrdat[self.s].append(nd1)
+            nd1.dim = 1
+
+        self.nmrdat[self.s].append(nd1)
         # end read_spc
 
     def read_spcs(self, data_path, data_exp, dataset=1):