Auto Zoom Y axis on-demand

prasopes/__main__.py

@@ -53,7 +53,7 @@ def main():
     ds = dict(chrom_dat=None, masses=None, matrix=None)
     ms = dict(x=[0], y=[0], line=None, annotation=[],
               name="Spectrum", xlabel="m/z", ylabel="ion count",
-              xtics=20)
+              xtics=20, autoy=True)
     chrom = dict(x=[0], y=[0], line=None, t_start=None, t_end=None,
                  name="Chromatogram", xlabel="time(min)",
                  ylabel="total ion count", timesarg=None)
@@ -126,7 +126,12 @@ def main():
     drlact.setShortcut(QtCore.Qt.CTRL + QtCore.Qt.Key_D)
     drlact.triggered.connect(lambda: drl.main_window(
         main_window, ds, filename, drlcache))
-
+    autozoomy = QtWidgets.QAction(QtGui.QIcon.fromTheme(
+        "zoom-original"), "Auto Zoom Y")
+    autozoomy.setCheckable(True)
+    autozoomy.setChecked(True)
+    autozoomy.triggered.connect(lambda: gt.autozoomy(
+        autozoomy.isChecked(), spectrum, ms))
 
 
 
@@ -142,11 +147,6 @@ def main():
     main_window.menuBar().addMenu(tools_menu)
     tools_menu.addAction(zceact)
     tools_menu.addAction(drlact)
-    """tools_menu.addAction('&TSQ zce', lambda: zce.dialog(
-        main_window, ds, filename), QtCore.Qt.CTRL + QtCore.Qt.Key_T)
-    tools_menu.addAction('&DRL..', lambda: drl.main_window(
-        main_window, ds, filename, drlcache),
-        QtCore.Qt.CTRL + QtCore.Qt.Key_D)"""
 
     main_widget = QtWidgets.QWidget(main_window)
     main_window.setCentralWidget(main_widget)
@@ -156,11 +156,14 @@ def main():
     toolBar.setFloatable(False)
     toolBar.setMovable(False)
     toolBar.setToolButtonStyle(QtCore.Qt.ToolButtonTextBesideIcon)
+
     toolBar.addAction(openact)
     toolBar.addAction(exportact)
     toolBar.addSeparator()
     toolBar.addAction(zceact)
     toolBar.addAction(drlact)
+    toolBar.addSeparator()
+    toolBar.addAction(autozoomy)
 
     layout = QtWidgets.QVBoxLayout(main_widget)
     layout.addWidget(toolBar)

prasopes/drltools.py

@@ -62,29 +62,30 @@ def update_profile(pt, row, dataset):
     spectrum.figure.canvas.draw()
 
 
+def get_intensity(row, ptable, dtable, ds):
+    startm = floatize(ptable, row, 1)
+    endm = floatize(ptable, row, 2)
+    massargs = dt.argsubselect(ds['masses'], startm, endm)
+    intensity = (np.sum(
+        ds['matrix'].T[massargs].T, axis=1)) / ds['chrom_dat'][1]
+    return intensity
+
+
 def get_daughterset(ptable, dtable, ds):
-    # TODO: write a less resources demanding function
+    # TODO: write a less resources demanding function - probably "per-line"
     names = []
     times = ds['chrom_dat'][0, :]
     intensities = []
     # TODO: resolve intensities trouble
     for row in range(dtable.rowCount()):
         if dtable.cellWidget(row, 0).checkState() == 2:
-            startm = floatize(ptable, row, 1)
-            endm = floatize(ptable, row, 2)
-            massargs = dt.argsubselect(ds['masses'], startm, endm)
-            intensity = (np.sum(
-                ds['matrix'].T[massargs].T, axis=1)) / ds['chrom_dat'][1]
+            intensity = get_intensity(row, ptable, dtable, ds)
             cor = dtable.cellWidget(row, 1).currentIndex() - 1
             # TODO: check if cor still produce the mess or it started to behave
             if cor not in (-2, -1):
                 factor = floatize(dtable, row, 2)
-                startm = floatize(ptable, cor, 1)
-                endm = floatize(ptable, cor, 2)
-                massargs = dt.argsubselect(ds['masses'], startm, endm)
-                correction = ((np.sum(
-                    ds['matrix'].T[massargs].T, axis=1))
-                              / ds['chrom_dat'][1]) * factor
+                correction = get_intensity(cor, ptable, dtable, ds)\
+                    * factor
                 intensity = intensity - correction
             intensities.append(intensity)
             names.append("{} - {} * {}".format(
@@ -383,6 +384,10 @@ def key_pressed(event, ptable, dtable, ds, drlspectrum):
         for row in map(lambda x: x.row(),
                        ptable.selectionModel().selectedRows()):
             delete_row(row, ptable, dtable, ds, drlspectrum)
+    if event.key() == QtCore.Qt.Key_F5:
+        update_drlspectrum(ptable, dtable, ds, drlspectrum)
+        for row in range(ptable.rowCount()):
+            update_profile(ptable, row, ds)
 
 
 def main_window(parent, ds, filename, cache):

prasopes/graphtools.py

@@ -100,7 +100,8 @@ def plot_subtime(mpl_spectrum, mpl_chromatogram, data_set, mass_spect,
         data_set['matrix'][chrom_spect['timesarg']], axis=0)
     pop_plot(mpl_spectrum, mass_spect)
     mpl_spectrum.set_xlim(slims[0])
-    mpl_spectrum.set_ylim(slims[1])
+    if mass_spect['autoy'] is False:
+        mpl_spectrum.set_ylim(slims[1])
 
     mpl_chromatogram.clear()
     pop_plot(mpl_chromatogram, chrom_spect)
@@ -139,6 +140,17 @@ def arrow_factory(spectrum, chromatogram, ds, mass_spect,
     fig.canvas.mpl_connect('key_press_event', lambda event: arrow_fun(
         event, spectrum, chromatogram, ds, mass_spect, chrom_spect))
 
+def autozoomy(state, ms_spec, msdata):
+    if state is True:
+        msdata['autoy'] = True
+        ms_spec.autoscale(True, 'y')
+        ymin = -0.01
+        ms_spec.set_ylim(ms_spec.get_ylim()[1]*ymin,
+                         ms_spec.get_ylim()[1]*1.1)
+        ms_spec.figure.canvas.draw()
+    else:
+        msdata['autoy'] = False
+
 
 def ann_spec(ms_spec, msdata, ann_limit=0.01):
     """annotate spectrum

prasopes/tangoicons.qrc

@@ -12,6 +12,9 @@
         <file alias="16x16/preferences-system.png">TangoMFK/16x16/preferences-system.png</file>
         <file alias="24x24/preferences-system.png">TangoMFK/24x24/preferences-system.png</file>
         <file alias="32x32/preferences-system.png">TangoMFK/32x32/preferences-system.png</file>
+        <file alias="16x16/zoom-original.png">TangoMFK/16x16/zoom-original.png</file>
+        <file alias="24x24/zoom-original.png">TangoMFK/24x24/zoom-original.png</file>
+        <file alias="32x32/zoom-original.png">TangoMFK/32x32/zoom-original.png</file>
         <file alias="index.theme">TangoMFK/index.theme</file>
     </qresource>
 </RCC>