Added release version to the graphics, added info text when using Tor…

…toize
glycojones · Jul 2, 2024 · 984b52d · 984b52d
1 parent e00e703
commit 984b52d
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Showing 3 changed files with 45 additions and 24 deletions.
diff --git a/src/iris_validation/graphics/chain.py b/src/iris_validation/graphics/chain.py
@@ -5,6 +5,7 @@
 from svgwrite.animate import Animate
 
 from iris_validation._defs import COLORS, CHAIN_VIEW_RINGS, CHAIN_VIEW_GAP_ANGLE
+from iris_validation._version import version_tuple 
 
 
 class ChainView:
@@ -142,21 +143,35 @@ def _draw(self):
 
         # Draw center text
         self.dwg.add(self.dwg.text(text='Iris',
-                                   insert=(self.center[0], self.center[1]-24),
-                                   font_size=1.5*16,
+                                   insert=(self.center[0], self.center[1]-22),
+                                   font_size=1.5*18,
                                    font_family='Arial',
                                    font_weight='bold',
                                    text_anchor='middle',
                                    alignment_baseline='central'))
+        self.dwg.add(self.dwg.text(text='Release ' + '.'.join(map(str, version_tuple[:3])),
+                                   insert=(self.center[0], self.center[1]),
+                                   font_size=14,
+                                   font_family='Arial',
+                                   text_anchor='middle',
+                                   alignment_baseline='central'))
         self.dwg.add(self.dwg.text(text='Chain ' + self.data['chain_id'],
-                                   insert=(self.center[0], self.center[1]+16),
+                                   insert=(self.center[0], self.center[1]+18),
                                    font_size=16,
                                    font_family='Arial',
                                    text_anchor='middle',
                                    alignment_baseline='central'))
         if self.data['has_molprobity']:
             self.dwg.add(self.dwg.text(text='MolProbity',
-                                       insert=(self.center[0], self.center[1]+48),
+                                       insert=(self.center[0], self.center[1]+50),
+                                       font_size=16,
+                                       font_family='Arial',
+                                       text_anchor='middle',
+                                       alignment_baseline='central',
+                                       fill=COLORS['L_GREY']))
+        elif self.data['has_rama_z']:
+            self.dwg.add(self.dwg.text(text='Tortoize',
+                                       insert=(self.center[0], self.center[1]+50),
                                        font_size=16,
                                        font_family='Arial',
                                        text_anchor='middle',

diff --git a/src/iris_validation/graphics/panel.py b/src/iris_validation/graphics/panel.py
@@ -254,6 +254,11 @@ def _draw(self):
                                        onclick=f'toggleDropdown();'))
 
         # Version toggle switch
+        self.dwg.add(self.dwg.text(text='Model version',
+                                   insert=(chain_view_bounds[2]-385, chain_view_bounds[1]+20),
+                                   font_size=view_title_font,
+                                   font_family='Arial'))
+
         self.dwg.add(self.dwg.text(text=self.custom_labels['Previous'],
                                    insert=(chain_view_bounds[2]-215, chain_view_bounds[1]+20),
                                    font_size=16,

diff --git a/tests/test_core.py b/tests/test_core.py
@@ -10,6 +10,7 @@
 DATASET1_PATH = str(os.path.join(INPUT_DIR, "3atp")) + '{suffix}'
 DATASET2_PATH = str(os.path.join(INPUT_DIR, "8ira")) + '{suffix}'
 
+
 def test_2m2d_noCOV_noMP_noRamaZ_mpro ():
     import iris_validation as iris
     importlib.reload(iris)
@@ -130,23 +131,23 @@ def test_2m2d_noCOV_MP_noRamaZ_spro ():
     assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html")
 
 
-@pytest.mark.slow
-def test_2m2d_COV_MP_noRamaZ_spro ():
-    import iris_validation as iris
-    importlib.reload(iris)
-    job_name = "test_2m2d_COV_MP_noRamaZ_spro"
-    iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'),
-                         latest_reflections_path=DATASET1_PATH.format(suffix='_final.mtz'),
-                         latest_sequence_path=DATASET1_PATH.format(suffix='.fasta'),
-                         latest_distpred_path=DATASET1_PATH.format(suffix='.npz'),
-                         previous_model_path=DATASET1_PATH.format(suffix='_0cyc.pdb'),
-                         previous_reflections_path=DATASET1_PATH.format(suffix='_0cyc.mtz'),
-                         previous_sequence_path=DATASET1_PATH.format(suffix='.fasta'),
-                         previous_distpred_path=DATASET1_PATH.format(suffix='.npz'),
-                         run_covariance=True,
-                         run_molprobity=True,
-                         calculate_rama_z=False,
-                         multiprocessing=False,
-                         output_dir=OUTPUT_DIR.format(suffix=""),
-                         output_name_prefix=job_name)
-    assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html")
+# @pytest.mark.slow
+# def test_2m2d_COV_MP_noRamaZ_spro ():
+#     import iris_validation as iris
+#     importlib.reload(iris)
+#     job_name = "test_2m2d_COV_MP_noRamaZ_spro"
+#     iris.generate_report(latest_model_path=DATASET1_PATH.format(suffix='_final.pdb'),
+#                          latest_reflections_path=DATASET1_PATH.format(suffix='_final.mtz'),
+#                          latest_sequence_path=DATASET1_PATH.format(suffix='.fasta'),
+#                          latest_distpred_path=DATASET1_PATH.format(suffix='.npz'),
+#                          previous_model_path=DATASET1_PATH.format(suffix='_0cyc.pdb'),
+#                          previous_reflections_path=DATASET1_PATH.format(suffix='_0cyc.mtz'),
+#                          previous_sequence_path=DATASET1_PATH.format(suffix='.fasta'),
+#                          previous_distpred_path=DATASET1_PATH.format(suffix='.npz'),
+#                          run_covariance=True,
+#                          run_molprobity=True,
+#                          calculate_rama_z=False,
+#                          multiprocessing=False,
+#                          output_dir=OUTPUT_DIR.format(suffix=""),
+#                          output_name_prefix=job_name)
+#     assert path.exists(OUTPUT_DIR.format(suffix=job_name) + ".html")