Cleanup/refactoring/etc complete for now. Tests cleaned up. Potential…

… bug in widgets avoided by testing str(self.current_value) to get_value. Comparing self.current_value to float(get_value) is fragile for subclasses etc if ints are used instead of floats. pyqtgraph removed from requirements.txt. App now initiates with a size 10% smaller than the monitor and doesn't change size when toolbars are changed.

main.py

@@ -6,6 +6,14 @@
 from nmrmint.controller.controller import Controller
 
 root = tk.Tk()
+
+width, height = root.winfo_screenwidth(), root.winfo_screenheight()
+padding_x = int(width * 0.1)
+padding_y = int(height * 0.1)
+xoffset, yoffset = padding_x / 2, padding_y / 2
+geometry = "%dx%d%+d%+d" % (width-padding_x, height-padding_y, xoffset, yoffset)
+root.geometry(geometry)
+
 root.title('nmrmint')
 app = Controller(root)
 

nmrmint/GUI/toolbardefaults.py

@@ -7,6 +7,8 @@
 Update 2018-05-10: Latest python has dicts ordered by default. Consider
 revising these types of default dicts throughout NMR projects.
 """
+# TODO: currently unused; consider deleting
+
 from collections import OrderedDict
 
 ABdict = OrderedDict([('Jab', 12.0),

nmrmint/GUI/widgets.py

@@ -152,7 +152,7 @@ def _entry_is_changed(self):
         :return: True if changed, False if not.
         """
         get_value = self._value_var.get()  # for debugging
-        return self.current_value != float(get_value)
+        return str(self.current_value) != get_value
 
     def _save_entry(self):
         """Saves widget's entry as self.stored_value , filling the entry with

requirements.txt

@@ -2,4 +2,3 @@ pytest
 numpy
 matplotlib
 scipy
-pyqtgraph

tests/GUI/test_history.py

@@ -2,8 +2,7 @@
 import pytest
 
 from nmrmint.GUI.history import Subspectrum, History
-from nmrmint.GUI.toolbars import FirstOrderBar, SecondOrderBar
-
+from nmrmint.GUI.toolbars import FirstOrderBar
 
 # Before writing these tests, the program was being manually debugged (with
 # first-order simulations) .
@@ -272,9 +271,7 @@ def test_all_spec_data(ss1, ss2, vars_1, vars_2):
     """
     # Given a history with two subspectra, each with references to toolbars
     # and lineshape data
-    # toolbar = FirstOrderBar(callback=fake_callback)
     history = History()
-    # history._toolbar = _toolbar
     history._subspectra[history.current] = ss1
     history.restore()
     history._subspectra.append(ss2)
@@ -292,34 +289,6 @@ def test_all_spec_data(ss1, ss2, vars_1, vars_2):
     assert all_spec_data == expected_data
 
 
-# def test_current_toolbar():
-#     """Test that current_bar returns the bar for the current subspectrum."""
-#     # GIVEN a history with a toolbar assigned to its subspectrum
-#     history = History()
-#     bar = FirstOrderBar()
-#     history._subspectra[history.current].toolbar = bar
-#
-#     # WHEN history is asked for its current toolbar
-#     # THEN the current subspectrum's bar is returned
-#     assert history.current_toolbar() is bar
-
-
-# def test_change_toolbar(vars_2):
-#     """Test to see if the current subspectrum's toolbar can be replaced."""
-#     # GIVEN an initialized history with default toolbar
-#     history = History()
-#     bar_1 = FirstOrderBar(callback=fake_callback)
-#     history.current_subspectrum().toolbar = bar_1
-#
-#     # WHEN a new toolbar is added
-#     bar_2 = FirstOrderBar(callback=fake_callback)
-#     bar_2.reset(vars_2)
-#     history.change_toolbar(bar_2)
-#
-#     # THEN the current_toolbar is updated
-#     assert history.current_toolbar() is bar_2
-
-
 def test_change_toolbar():
     """Test that history.toolbar can be changed via method call.
 
@@ -337,23 +306,6 @@ def test_change_toolbar():
     assert history._toolbar is toolbar
 
 
-# def test_change_toolbar_to_second_order_bar():
-#     """Test to see if change_toolbar works with SecondOrderBar."""
-#     # GIVEN an initialized history with default first-order toolbar
-#     history = History()
-#     bar_1 = FirstOrderBar(callback=fake_callback)
-#     history.current_subspectrum().toolbar = bar_1
-#
-#     # WHEN a SecondOrderBar is added
-#     bar_2 = SecondOrderBar(callback=fake_callback)
-#     history.change_toolbar(bar_2)
-#
-#     # THEN the current_toolbar is updated
-#     _, _vars = history.subspectrum_data()
-#     assert _ == 'nspin'
-#     assert _vars['w'][0][0] == 0.5
-
-
 def test_delete(ss1, ss2):
     """Test that, when a non-last subspectrum is deleted, it is removed from
     history._subspectra."""
@@ -363,7 +315,6 @@ def test_delete(ss1, ss2):
     history = History()
     history._toolbar = toolbar
     history._subspectra[history.current] = ss1
-    # history.current = 1
     history._subspectra.append(ss2)
     assert history.current_subspectrum() is ss1
 
@@ -392,7 +343,7 @@ def test_delete_updates_total(ss1, ss2, x1, x2, y1, y2, y_total):
     history.current = 1
     assert np.array_equal(history.current_subspectrum().y, y2)
 
-    # IF told to delete the current spectrum
+    # WHEN told to delete the current spectrum
     history.delete()
 
     # THEN history.total_y has had the deleted spectrum's y subtracted from it
@@ -485,6 +436,7 @@ def test_save_alerts_if_no_toolbar(capsys):
     """
     # GIVEN a History instance with no toolbar recorded
     history = History()
+    # noinspection PyUnusedLocal
     out, err = capsys.readouterr()  # capture any print statements before save
 
     # WHEN told to save toolbar state

tests/GUI/test_toolbars.py

@@ -9,6 +9,7 @@
 
 @pytest.fixture()
 def dummy_frame():
+    """A dummy tk.Frame to pack things into."""
     dummy_frame = tk.Frame()
     return dummy_frame
 
@@ -47,11 +48,7 @@ def test_can_instantiate(self,
         """Confirm a SecondOrderBar can be instantiated with a default frame
         as parent.
         """
-        # GIVEN a default 2-spin SecondOrderBar
-        # testbar = SecondOrderBar(dummy_frame,
-        #                          callback=dummy_controller,
-        #                          n=2)
-
+        # GIVEN a default 2-spin SecondOrderBar (testbar)
         # THEN it is instantiated with the expected .vars
         np.testing.assert_equal(testbar.vars, default_nspin_vars)
 

tests/GUI/test_widgets.py

@@ -10,13 +10,9 @@
 import numpy as np
 import pytest
 
-# from nmrmint.GUI.toolbars import FirstOrderBar
 from nmrmint.GUI.widgets import _BaseEntryFrame, ArrayBox
 
 
-# from nmrmint.initialize import getWINDNMRdefault
-
-
 @pytest.fixture()
 def dummy_toolbar():
     frame = tk.Frame()
@@ -54,39 +50,12 @@ def array_entry_1d(dummy_toolbar):
     return widget
 
 
-# @pytest.fixture()
-# def dummy_frame():
-#     dummy_frame = tk.Frame()
-#     return dummy_frame
-
-
 def dummy_controller(*args):
     """For mocking out Toolbar _callback calls."""
     print('Controller was passed: ', *args)
     pass
 
 
-# @pytest.fixture()
-# def default_nspin_vars():
-#     """A copy of the default vars that SecondOrderBar should be instantiated
-#     with.
-#     """
-#     v, j = getWINDNMRdefault(2)
-#     _w_array = np.array([[0.5]])
-#     _v_ppm = v / 300.0  # Using default spectrometer frequency of 300 MHz
-#     return {'v': _v_ppm,
-#             'j': j,
-#             'w': _w_array}
-#
-#
-# @pytest.fixture()
-# def testbar(dummy_frame):
-#     """A default 2-spin SecondOrderBar to be tested."""
-#     return SecondOrderBar(dummy_frame,
-#                           callback=dummy_controller,
-#                           n=2)
-
-
 class TestBaseEntryFrame:
 
     def test_widget_instantiates(self, base_entry):

tests/human/toolbar_focus.py

@@ -21,6 +21,7 @@ def dummy_callback(*args, **kwargs):
     print(kwargs)
 
 
+# noinspection PyProtectedMember
 def focus_next_entry():
     global current_entry
     next_entry = current_entry.master._find_next_entry(current_entry)
@@ -40,6 +41,7 @@ def focus_next_entry():
     # Note: immediately packing testbar broke things
     testbar = FirstOrderBar(root, callback=dummy_callback)  # .pack(side=tk.TOP)
     print(type(testbar))
+    # noinspection PyProtectedMember
     first_widget = testbar._fields['# of nuclei']
     first_entry = first_widget.entry
     current_entry = first_entry

tests/testutils.py

@@ -4,6 +4,7 @@
 can create data. Should instead save test data in some form for later
 retrieval.
 """
+# TODO: currently unused; consider deleting
 
 import tkinter as tk