GUI tables and plot: apply shift on click

cctbx · Sep 1, 2018 · 7926d1e · 7926d1e
1 parent ca15839
commit 7926d1e
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Showing 2 changed files with 9 additions and 11 deletions.
diff --git a/mmtbx/validation/__init__.py b/mmtbx/validation/__init__.py
@@ -443,8 +443,7 @@ def as_coot_data (self) :
     """
     raise NotImplementedError()
 
-  def as_gui_table_data(self, outliers_only=True, include_zoom=False,
-                        shift=None):
+  def as_gui_table_data(self, outliers_only=True, include_zoom=False):
     """
     Format results for display in the Phenix GUI.
     """
@@ -453,13 +452,6 @@ def as_gui_table_data(self, outliers_only=True, include_zoom=False,
       extra = []
       if (include_zoom) :
         extra = result.zoom_info()
-        if (shift is not None):
-          assert(len(shift) == 3)
-          xyz = extra[-1]
-          xyz = (xyz[0] + shift[0],
-                 xyz[1] + shift[1],
-                 xyz[2] + shift[2])
-          extra[1] = xyz
       row = result.as_table_row_phenix()
       assert (len(row) == len(self.gui_list_headers))
       table.append(row + extra)

diff --git a/wxtbx/plots/molprobity.py b/wxtbx/plots/molprobity.py
@@ -12,11 +12,12 @@
 class rotarama_plot (wxtbx.plots.plot_container) :
   hit_test_radius = 3.0
   hit_test_minimum_difference = 0.5
-  def __init__ (self, parent, figure_size=(8,8)) :
+  def __init__ (self, parent, figure_size=(8,8), xyz_shift=None) :
     wxtbx.plots.plot_container.__init__(self,
       parent=parent,
       figure_size=figure_size,
       handle_left_click=True)
+    self.xyz_shift = xyz_shift
 
   def show_plot (self, *args, **kwds) :
     if self.disabled : return
@@ -35,7 +36,12 @@ def process_mouse_click (self, mpl_event) :
         closest_point = i
         min_dist = dist
     if closest_point is not None :
-      self.parent.zoom_callback(xyz=self._xyz[closest_point])
+      xyz = self._xyz[closest_point]
+      if (self.xyz_shift is not None):
+        xyz = (xyz[0] + self.xyz_shift[0],
+               xyz[1] + self.xyz_shift[1],
+               xyz[2] + self.xyz_shift[2])
+      self.parent.zoom_callback(xyz=xyz)
 
 class ramalyze_plot (rotarama_plot,
                      ramalyze.ramachandran_plot_mixin) :