Migration to pyqt4

chemlab/__init__.py

@@ -1 +1,15 @@
+import sys
+
+# Setup pyqt API
+import sip
+try:
+    sip.setapi('QDate', 2)
+    sip.setapi('QDateTime', 2)
+    sip.setapi('QString', 2)
+    sip.setapi('QtextStream', 2)
+    sip.setapi('Qtime', 2)
+    sip.setapi('QUrl', 2)
+    sip.setapi('QVariant', 2)
+except ValueError, e:
+    raise RuntimeError('Could not set API version (%s): did you import PyQt4 directly?' % e)
 

chemlab/contrib/gromacs.py

@@ -105,50 +105,6 @@ def rdffunc(args):
     grid()
     show()
 
-
-# from PySide.QtUiTools import QUiLoader
-# from PySide.QtCore import QFile
-# from PySide.QtGui import QWidget, QApplication
-
-# import matplotlib
-# matplotlib.use('Qt4Agg')
-# matplotlib.rcParams['backend.qt4'] = 'PySide'
-# import pylab
-
-# from matplotlib.backends.backend_qt4agg import FigureCanvasQTAgg as FigureCanvas
-# from matplotlib.backends.backend_qt4agg import NavigationToolbar2QTAgg as NavigationToolbar
-# from matplotlib.figure import Figure
-# import sys
-
-# class App(QApplication):
-#     def __init__(self):
-#         QApplication.__init__(self, sys.argv)
-#         self.loader = loader = QUiLoader()
-#         pref = '/home/gabriele/workspace/chemlab/chemlab/contrib/'
-#         file = QFile(pref + "energyplot.ui")
-#         file.open(QFile.ReadOnly)
-#         self.mainwin = mainwin = loader.load(file)
-#         file.close()
-#         pltcontainer = mainwin.findChild(QWidget, "plotplaceholder")
-#         fig = Figure(figsize=(600,600), dpi=72, facecolor=(1,1,1), edgecolor=(0,0,0))
-#         self.ax = ax = fig.add_subplot(111)
-#         # generate the canvas to display the plot
-#         self.canvas = canvas = FigureCanvas(fig)
-#         ly = pltcontainer.layout()
-#         ly.addWidget(canvas)
-#         #canvas.setParent(self.mainwin)
-#         tb = NavigationToolbar(canvas, self.mainwin)
-
-#         ly.addWidget(tb)
-#         self.mainwin.show()
-
-#     def plot(self, *a, **kw):
-#         self.ax.plot(*a, **kw)
-#         self.canvas.draw()
-
-#     def set_statusbar(self, msg):
-#         self.mainwin.statusBar().showMessage(msg)
-
 
 if __name__ == '__main__':
     main(['pressure'])

chemlab/graphics/__init__.py

@@ -1,3 +1,4 @@
+
 from .qtviewer import QtViewer
 from .qchemlabwidget import QChemlabWidget
 from .qttrajectory import QtTrajectoryViewer, format_time

chemlab/graphics/qchemlabwidget.py

@@ -5,9 +5,9 @@
 
 from PIL import Image as pil_Image
 
-from PySide import QtCore, QtGui
-from PySide.QtCore import  Qt
-from PySide.QtOpenGL import QGLWidget
+from PyQt4 import QtCore, QtGui
+from PyQt4.QtCore import  Qt
+from PyQt4.QtOpenGL import QGLWidget
 
 from OpenGL.GL import *
 from OpenGL.GL.framebufferobjects import *
@@ -19,8 +19,8 @@
 DEFAULT_FRAMEBUFFER = 0
 
 class QChemlabWidget(QGLWidget):
-    '''Extensible and modular OpenGL widget developed using the Qt (PySide)
-    Framework. This widget can be used in other PySide programs.
+    '''Extensible and modular OpenGL widget developed using the Qt (PyQt4)
+    Framework. This widget can be used in other PyQt4 programs.
 
     The widget by itself doesn't draw anything, it delegates the
     writing task to external components called 'renderers' that expose
@@ -49,7 +49,7 @@ class QChemlabWidget(QGLWidget):
         widget.uis.append(TextUI(widget, 200, 200, 'Hello, world!'))
 
     .. warning:: At this point there is only one ui element available.
-                PySide provides a lot of UI elements so there's the
+                PyQt4 provides a lot of UI elements so there's the
                 possibility that UI elements will be converted into renderers.
 
     QChemlabWidget has its own mouse gestures:

chemlab/graphics/qttrajectory.py

@@ -1,6 +1,6 @@
-from PySide.QtGui import QMainWindow, QApplication, QDockWidget
-from PySide import QtGui, QtCore
-from PySide.QtCore import Qt
+from PyQt4.QtGui import QMainWindow, QApplication, QDockWidget
+from PyQt4 import QtGui, QtCore
+from PyQt4.QtCore import Qt
 
 import os
 
@@ -243,7 +243,7 @@ def set_time(self, t):
 
 
 class QtTrajectoryViewer(QMainWindow):
-    """Bases: `PySide.QtGui.QMainWindow`
+    """Bases: `PyQt4.QtGui.QMainWindow`
 
     Interface for viewing trajectory.
 

chemlab/graphics/qtviewer.py

@@ -2,10 +2,10 @@
 import time
 
 import sys
-from PySide.QtGui import QMainWindow, QApplication
-from PySide.QtCore import QTimer, Qt
-from PySide import QtCore, QtGui
-from PySide.QtOpenGL import *
+from PyQt4.QtGui import QMainWindow, QApplication
+from PyQt4.QtCore import QTimer, Qt
+from PyQt4 import QtCore, QtGui
+from PyQt4.QtOpenGL import *
 
 from .qchemlabwidget import QChemlabWidget
 
@@ -31,7 +31,7 @@ def draw(self):
 
 
 class QtViewer(QMainWindow):
-    """Bases: `PySide.QtGui.QMainWindow`
+    """Bases: `PyQt4.QtGui.QMainWindow`
 
     View objects in space.
 
@@ -68,7 +68,7 @@ def __init__(self):
 
         # Pre-initializing an OpenGL context can let us use opengl
         # functions without having to show the window first...
-        context = QGLContext(QGLFormat())
+        context = QGLContext(QGLFormat(), None)
         widget = QChemlabWidget(context, self)
         context.makeCurrent()
         self.setCentralWidget(widget)

chemlab/graphics/uis.py

@@ -1,5 +1,5 @@
 from OpenGL.GL import *
-from PySide.QtGui import QFont, QPainter
+from PyQt4.QtGui import QFont, QPainter
 from .shaders import compileShader, compileProgram
 from OpenGL.arrays import vbo
 import os

chemlab/mviewer/QIPythonWidget.py

@@ -1,6 +1,6 @@
 import atexit
 
-from PySide.QtCore import QTimer
+from PyQt4.QtCore import QTimer
 
 from IPython.kernel.zmq.kernelapp import IPKernelApp
 from IPython.lib.kernel import find_connection_file

chemlab/mviewer/api/appeareance.py

@@ -6,7 +6,7 @@
 
 # Function to popup an interactive dialog
 def _interactive_color_dialog(callback):
-    from PySide.QtGui import QColorDialog
+    from PyQt4.QtGui import QColorDialog
 
     dialog = QColorDialog()
 

chemlab/mviewer/api/core.py

@@ -33,7 +33,7 @@ def trajectory(start=None, stop=None, step=None):
 
     '''
     import numpy as np
-    from PySide import QtGui
+    from PyQt4 import QtGui
 
     times = np.array(current_frame_times()) / 1000
 
@@ -69,7 +69,7 @@ def frames(skip=1):
     You can use the option *skip* to take every i :sup:`th` frame.
     
     '''
-    from PySide import QtGui
+    from PyQt4 import QtGui
 
     for i in range(0, viewer.traj_controls.max_index, skip):
         viewer.traj_controls.goto_frame(i)

chemlab/mviewer/qtmolecularviewer.py

@@ -4,9 +4,9 @@
 import numpy as np
 import os
 
-from PySide import QtGui
-from PySide.QtCore import Qt, QSize
-from PySide import QtCore
+from PyQt4 import QtGui
+from PyQt4.QtCore import Qt, QSize
+from PyQt4 import QtCore
 
 from ..graphics.qtviewer import QtViewer
 from ..graphics import colors

chemlab/mviewer/representations/__init__.py

@@ -1 +1,14 @@
+# Setup pyqt API
+import sip
+try:
+    sip.setapi('QDate', 2)
+    sip.setapi('QDateTime', 2)
+    sip.setapi('QString', 2)
+    sip.setapi('QtextStream', 2)
+    sip.setapi('Qtime', 2)
+    sip.setapi('QUrl', 2)
+    sip.setapi('QVariant', 2)
+except ValueError, e:
+    raise RuntimeError('Could not set API version (%s): did you import PyQt4 directly?' % e)
+
 from ballandstick import BallAndStickRepresentation

chemlab/mviewer/representations/ballandstick.py

@@ -12,7 +12,7 @@
 from ...db import ChemlabDB
 from ...graphics.postprocessing import GlowEffect
 
-from PySide import QtCore
+from PyQt4 import QtCore
 
 cdb = ChemlabDB()
 vdw_radii = cdb.get('data', 'vdwdict')

chemlab/mviewer/representations/obsarray.py

@@ -1,5 +1,5 @@
 import numpy as np
-from chemlab.graphics.events import BoundEvent
+from ..events import BoundEvent
 
 class obsarray(object):
     def __init__(self, arr):

docs/conf.py

@@ -41,8 +41,8 @@ def __getitem__(self, index):
     def __mul__(self, other):
         return Mock()
 
-MOCK_MODULES = ['PySide.QtGui', 'PySide.QtCore', 'PySide',
-                'PySide.QtOpenGL',
+MOCK_MODULES = ['PyQt4.QtGui', 'PyQt4.QtCore', 'PyQt4',
+                'PyQt4.QtOpenGL',
                 'chemlab.molsim.cforces2', 'h5py',
                 'chemlab.libs.pyxdr',
                 'Cython.Distutils', 'numpy', 'numpy.linalg',