def __init__(self):
QtGui.QMainWindow.__init__(self)
Ui_MainWindow.__init__(self)
self.setupUi(self)
#just sets the theme of the UI, in this case cleanlooks
QtGui.QApplication.setStyle(QtGui.QStyleFactory.create('cleanlooks'))
#menu options
self.actionExit.triggered.connect(self.closeApplication)
self.actionSave.triggered.connect(self.saveOutput)
#buttons
#all other button actions are handled via the UI directly
self.execute_btn.clicked.connect(self.decoderSelect)
self.save_btn.clicked.connect(self.saveOutput)
#turn on statusBar below
self.statusBar = QStatusBar()
self.setStatusBar(self.statusBar)
self.updateStatus()
#initially set the hash and length options to disabled, unless
#if the proper function is chosen, then enable the options
#there are two things here, both of which serve fine
#one hides the entire group, the other disables it
self.hash_options_group.hide()
#self.hash_options_group.setEnabled(False) #this just deactivates, but doesn't hide
self.length_group.hide()
#if the user changes the combo box, run the function to
#update the show/hide or enable/disabled status of the
#hash options and/or length options
self.func_select.currentIndexChanged.connect(self.enableOptions)
def showMessage(self, text): #bruce 081230
"""
[extends superclass method]
"""
## QStatusBar.showMessage(self, " ")
QStatusBar.showMessage(self, text)
## print "message was set to %r" % str(self.currentMessage())
return
def showMessage(self, text): #bruce 081230
"""
[extends superclass method]
"""
## QStatusBar.showMessage(self, " ")
QStatusBar.showMessage(self, text)
## print "message was set to %r" % str(self.currentMessage())
return
class MainWindow(QDialog):
def __init__(self,
default_status_msg=_('Welcome to') + ' ' + __appname__+' console',
parent=None):
QDialog.__init__(self, parent)
self.restart_requested = False
self.l = QVBoxLayout()
self.setLayout(self.l)
self.resize(800, 600)
geom = dynamic.get('console_window_geometry', None)
if geom is not None:
self.restoreGeometry(geom)
# Setup tool bar {{{
self.tool_bar = QToolBar(self)
self.tool_bar.setToolButtonStyle(Qt.ToolButtonTextOnly)
self.l.addWidget(self.tool_bar)
# }}}
# Setup status bar {{{
self.status_bar = QStatusBar(self)
self.status_bar.defmsg = QLabel(__appname__ + _(' console ') +
__version__)
self.status_bar._font = QFont()
self.status_bar._font.setBold(True)
self.status_bar.defmsg.setFont(self.status_bar._font)
self.status_bar.addWidget(self.status_bar.defmsg)
# }}}
self.console = Console(parent=self)
self.console.running.connect(partial(self.status_bar.showMessage,
_('Code is running')))
self.console.running_done.connect(self.status_bar.clearMessage)
self.l.addWidget(self.console)
self.l.addWidget(self.status_bar)
self.setWindowTitle(__appname__ + ' console')
self.setWindowIcon(QIcon(I('console.png')))
self.restart_action = QAction(_('Restart console'), self)
self.restart_action.setShortcut(_('Ctrl+R'))
self.addAction(self.restart_action)
self.restart_action.triggered.connect(self.restart)
self.console.context_menu.addAction(self.restart_action)
def restart(self):
self.restart_requested = True
self.reject()
def closeEvent(self, *args):
dynamic.set('console_window_geometry',
bytearray(self.saveGeometry()))
self.console.shutdown()
return QDialog.closeEvent(self, *args)
def __init__(self, parent=None):
QStatusBar.__init__(self, parent)
self.default_message = __appname__ + ' ' + _('version') + ' ' + \
__version__ + ' ' + _('created by Kovid Goyal')
self.device_string = ''
self._font = QFont()
self._font.setBold(True)
self.setFont(self._font)
self.w = QLabel(self.default_message)
self.w.setFont(self._font)
self.addWidget(self.w)
def __init__(self, parent=None):
QStatusBar.__init__(self, parent)
self.default_message = __appname__ + ' ' + _('version') + ' ' + \
self.get_version() + ' ' + _('created by Kovid Goyal')
self.device_string = ''
self.update_label = UpdateLabel('')
self.addPermanentWidget(self.update_label)
self.update_label.setVisible(False)
self._font = QFont()
self._font.setBold(True)
self.setFont(self._font)
self.defmsg = QLabel(self.default_message)
self.defmsg.setFont(self._font)
self.addWidget(self.defmsg)
def __init__(self, parent=None):
QStatusBar.__init__(self, parent)
self.default_message = __appname__ + ' ' + _('version') + ' ' + \
self.get_version() + ' ' + _('created by Kovid Goyal')
self.device_string = ''
self.update_label = UpdateLabel('')
self.addPermanentWidget(self.update_label)
self.update_label.setVisible(False)
self._font = QFont()
self._font.setBold(True)
self.setFont(self._font)
self.defmsg = QLabel(self.default_message)
self.defmsg.setFont(self._font)
self.addWidget(self.defmsg)
def __init__(self, parent=None):
QStatusBar.__init__(self, parent)
self.version = get_version()
self.base_msg = '%s %s' % (__appname__, self.version)
self.device_string = ''
self.update_label = UpdateLabel('')
self.total = self.current = self.selected = self.library_total = 0
self.addPermanentWidget(self.update_label)
self.update_label.setVisible(False)
self._font = QFont()
self._font.setBold(True)
self.setFont(self._font)
self.defmsg = QLabel('')
self.defmsg.setFont(self._font)
self.addWidget(self.defmsg)
self.set_label()
def __init__(self, parent=None):
QStatusBar.__init__(self, parent)
self.base_msg = '%s %s' % (__appname__, get_version())
self.version = get_version()
self.device_string = ''
self.update_label = UpdateLabel('')
self.total = self.current = self.selected = self.library_total = 0
self.addPermanentWidget(self.update_label)
self.update_label.setVisible(False)
self._font = QFont()
self._font.setBold(True)
self.setFont(self._font)
self.defmsg = QLabel('')
self.defmsg.setFont(self._font)
self.addWidget(self.defmsg)
self.set_label()
def __init__(self, parent=None):
QStatusBar.__init__(self, parent)
self.version = get_version()
self.base_msg = "%s %s" % (__appname__, self.version)
if tweaks.get("use_new_db", False):
self.base_msg += " [newdb]"
self.device_string = ""
self.update_label = UpdateLabel("")
self.total = self.current = self.selected = self.library_total = 0
self.addPermanentWidget(self.update_label)
self.update_label.setVisible(False)
self._font = QFont()
self._font.setBold(True)
self.setFont(self._font)
self.defmsg = QLabel("")
self.defmsg.setFont(self._font)
self.addWidget(self.defmsg)
self.set_label()
def __init__(self, win):
QStatusBar.__init__(self, win)
self.statusMsgLabel = QLabel()
self.statusMsgLabel.setMinimumWidth(200)
self.statusMsgLabel.setFrameStyle(QFrame.Panel | QFrame.Sunken)
self.addPermanentWidget(self.statusMsgLabel)
self.progressBar = QProgressBar(win)
self.progressBar.setMaximumWidth(250)
qt4todo('StatusBar.progressBar.setCenterIndicator(True)')
self.addPermanentWidget(self.progressBar)
self.progressBar.hide()
self.simAbortButton = QToolButton(win)
self.simAbortButton.setIcon(
geticon("ui/actions/Simulation/Stopsign.png"))
self.simAbortButton.setMaximumWidth(32)
self.addPermanentWidget(self.simAbortButton)
self.connect(self.simAbortButton, SIGNAL("clicked()"), self.simAbort)
self.simAbortButton.hide()
self.dispbarLabel = QLabel(win)
#self.dispbarLabel.setFrameStyle( QFrame.Panel | QFrame.Sunken )
self.dispbarLabel.setText("Global display style:")
self.addPermanentWidget(self.dispbarLabel)
# Global display styles combobox
self.globalDisplayStylesComboBox = GlobalDisplayStylesComboBox(win)
self.addPermanentWidget(self.globalDisplayStylesComboBox)
# Selection lock button. It always displays the selection lock state
# and it is available to click.
self.selectionLockButton = QToolButton(win)
self.selectionLockButton.setDefaultAction(win.selectLockAction)
self.addPermanentWidget(self.selectionLockButton)
# Only use of this appears to be commented out in MWsemantics as of 2007/12/14
self.modebarLabel = QLabel(win)
self.addPermanentWidget(self.modebarLabel)
self.abortableCommands = {}
def __init__(self, win):
QStatusBar.__init__(self, win)
self.statusMsgLabel = QLabel()
self.statusMsgLabel.setMinimumWidth(200)
self.statusMsgLabel.setFrameStyle(QFrame.Panel | QFrame.Sunken)
self.addPermanentWidget(self.statusMsgLabel)
self.progressBar = QProgressBar(win)
self.progressBar.setMaximumWidth(250)
qt4todo("StatusBar.progressBar.setCenterIndicator(True)")
self.addPermanentWidget(self.progressBar)
self.progressBar.hide()
self.simAbortButton = QToolButton(win)
self.simAbortButton.setIcon(geticon("ui/actions/Simulation/Stopsign.png"))
self.simAbortButton.setMaximumWidth(32)
self.addPermanentWidget(self.simAbortButton)
self.connect(self.simAbortButton, SIGNAL("clicked()"), self.simAbort)
self.simAbortButton.hide()
self.dispbarLabel = QLabel(win)
# self.dispbarLabel.setFrameStyle( QFrame.Panel | QFrame.Sunken )
self.dispbarLabel.setText("Global display style:")
self.addPermanentWidget(self.dispbarLabel)
# Global display styles combobox
self.globalDisplayStylesComboBox = GlobalDisplayStylesComboBox(win)
self.addPermanentWidget(self.globalDisplayStylesComboBox)
# Selection lock button. It always displays the selection lock state
# and it is available to click.
self.selectionLockButton = QToolButton(win)
self.selectionLockButton.setDefaultAction(win.selectLockAction)
self.addPermanentWidget(self.selectionLockButton)
# Only use of this appears to be commented out in MWsemantics as of 2007/12/14
self.modebarLabel = QLabel(win)
self.addPermanentWidget(self.modebarLabel)
self.abortableCommands = {}
def initWidgets(self):
self.ui_VideoFrame = VideoWidget(self)
self.ui_Slider = QtGui.QSlider(QtCore.Qt.Horizontal)
#contribution:
#self.ui_Slider.setStyleSheet(stylesheet(self))
self.ui_Slider.setMinimum(0)
self.ui_Slider.setMaximum(self.SLIDER_RESOLUTION)
self.ui_Slider.setToolTip("Video track")
#self.ui_Slider.setTickPosition(Qt.TicksAbove)
self.ui_Dial = QDial(self)
self.ui_Dial.setProperty("value", 0)
self.ui_Dial.setNotchesVisible(True)
self.ui_Dial.setWrapping(False)
self.ui_Dial.setNotchTarget(5.0)
self.ui_Dial.setToolTip("Fine tuning")
self.setDialResolution(self.DIAL_RESOLUTION)
self.ui_GotoField = QSpinBox(self)
self.ui_GotoField.setValue(1)
self.ui_GotoField.setToolTip("Goto Frame")
self.ui_InfoLabel = QLabel(self)
changeBackgroundColor(self.ui_InfoLabel , "lightblue")
self.ui_InfoLabel.setText("")
self.ui_InfoLabel.setToolTip("Infos about the video position")
self.ui_CB_Reencode = QCheckBox(self)
self.ui_CB_Reencode.setText("Exact cut")
self.ui_CB_Reencode.setChecked(False)
self.ui_CB_Reencode.setToolTip("Exact cut is slow, but precise")
self.ui_List = self.__createListWidget()
#self._listSplitter = QSplitter() ->add as widget...+QVBoxLayout
#self._listSplitter.addWidget(iconList)
#status bar
self.statusbar = QStatusBar(self)
self.statusbar.setSizeGripEnabled(True)
self.statusbar.showMessage("Idle")
self.statusbar.addPermanentWidget(self.__createProgressBar())
self.setLayout(self.makeGridLayout())
self.adjustSize()
def __init__(self, parent=None):
QStatusBar.__init__(self, parent)
self.showMessage("Not connected to a database")
class DecoderMain(QtGui.QMainWindow, Ui_MainWindow):
def __init__(self):
QtGui.QMainWindow.__init__(self)
Ui_MainWindow.__init__(self)
self.setupUi(self)
#just sets the theme of the UI, in this case cleanlooks
QtGui.QApplication.setStyle(QtGui.QStyleFactory.create('cleanlooks'))
#menu options
self.actionExit.triggered.connect(self.closeApplication)
self.actionSave.triggered.connect(self.saveOutput)
#buttons
#all other button actions are handled via the UI directly
self.execute_btn.clicked.connect(self.decoderSelect)
self.save_btn.clicked.connect(self.saveOutput)
#turn on statusBar below
self.statusBar = QStatusBar()
self.setStatusBar(self.statusBar)
self.updateStatus()
#initially set the hash and length options to disabled, unless
#if the proper function is chosen, then enable the options
#there are two things here, both of which serve fine
#one hides the entire group, the other disables it
self.hash_options_group.hide()
#self.hash_options_group.setEnabled(False) #this just deactivates, but doesn't hide
self.length_group.hide()
#if the user changes the combo box, run the function to
#update the show/hide or enable/disabled status of the
#hash options and/or length options
self.func_select.currentIndexChanged.connect(self.enableOptions)
#close the application, however that may happen
def closeApplication(self):
choice = QtGui.QMessageBox.question(self, 'Exit', 'Exit the Super Decoder?',\
QtGui.QMessageBox.Yes | QtGui.QMessageBox.No)
if choice == QtGui.QMessageBox.Yes:
exit()
else:
return
def updateStatus(self):
message = 'Input Length: {} Output Length: {}'.\
format(len(self.input_line.text()),len(self.output_box.toPlainText()))
self.statusBar.showMessage(message)
#generic popup window for messages and good times
def popupWindow(self, title, message):
self.msg = QMessageBox()
self.msg.setIcon(QMessageBox.Information)
self.msg.setWindowTitle(title)
self.msg.setText(message)
self.msg.setStandardButtons(QMessageBox.Ok)
self.msg.exec_()
#save whatever output data there is to a text file
#if there is none, it won't save
def saveOutput(self):
output_text = unicode(self.output_box.toPlainText())
if len(output_text) != 0:
output_text = 'Input Text:\n{}\n\nOutput Text:\n{}'.format(
self.input_line.text(), output_text)
export_name = QtGui.QFileDialog.getSaveFileName(
filter=self.tr("Text file (*.txt)"))
if export_name != "":
f = open(export_name, 'wb')
f.write(output_text)
f.close()
self.popupWindow(
'File Saved',
'Data has been saved to {}. '.format(export_name))
else:
self.popupWindow('No Data for Export',
'Sorry, there is no data to save.')
#enable or disable the options groups for different functions
def enableOptions(self):
#hide or show hash options
if self.func_select.currentText() == 'Hash Text':
self.hash_options_group.show()
else:
self.hash_options_group.hide()
#hide or show length options, depending on function
#could do this as one big if statement, but...
if self.func_select.currentText() == 'Hex to ASCII':
self.length_group.show()
self.pad_radio.hide()
elif self.func_select.currentText() == 'Base64 Decode':
self.length_group.show()
self.pad_radio.show()
elif self.func_select.currentText() == 'Reverse Nibble':
self.length_group.show()
self.pad_radio.show()
elif self.func_select.currentText() == 'Switch Endianness':
self.length_group.show()
self.pad_radio.show()
elif self.func_select.currentText() == 'Hex to Decimal IP':
self.length_group.hide()
self.pad_radio.hide()
else:
self.length_group.hide()
#checks the state of the combo box "func_select"
#to determine which function to run
def decoderSelect(self):
self.updateStatus()
if self.func_select.currentText() == 'Decimal to Hex':
self.decimaltoHex()
elif self.func_select.currentText() == 'Decimal to Binary':
self.decimaltoBinary()
elif self.func_select.currentText() == 'ASCII to Hex':
self.asciitoHex()
elif self.func_select.currentText() == 'Hex to ASCII':
self.hextoAscii()
elif self.func_select.currentText() == 'Base64 Encode':
self.base64Encode()
elif self.func_select.currentText() == 'Base64 Decode':
self.base64Decode()
elif self.func_select.currentText() == 'Reverse Nibble':
self.reverseNibble()
elif self.func_select.currentText() == 'Switch Endianness':
self.switchEndian()
elif self.func_select.currentText() == 'ROT13':
self.rot13()
elif self.func_select.currentText() == 'Hash Text':
self.hashText()
elif self.func_select.currentText() == 'Find OUI Vendor':
self.findOUIVendor()
elif self.func_select.currentText() == 'Hex to Decimal IP':
self.hexToDecIP()
#convert decimal to hex, pad with leading zero if necessary
def decimaltoHex(self):
try:
input_num = int(self.input_line.text())
except ValueError:
self.popupWindow('Invalid Input',
'Sorry, input is not proper decimal. ')
self.output_box.clear()
return
hex_num = hex(input_num)[2:]
hex_num = '0' * (len(hex_num) % 2) + hex_num
self.output_box.setText(hex_num.rstrip('L'))
self.updateStatus()
#convert decimal to binary, pad zeroes depending on bit length
def decimaltoBinary(self):
try:
input_num = int(self.input_line.text())
except ValueError:
self.popupWindow('Invalid Input',
'Sorry, input is not proper decimal. ')
self.output_box.clear()
return
bits = input_num.bit_length()
zero_pad = '0' * (4 - (bits % 4))
bin_num = bin(input_num)[2:]
bin_num = zero_pad + bin_num
self.output_box.setText(bin_num)
self.updateStatus()
#encode base64
def base64Encode(self):
input_text = unicode(self.input_line.text())
output_text = b64encode(input_text)
self.output_box.setText(output_text)
self.updateStatus()
#decode base64, check length, etc.
def base64Decode(self):
input_text = unicode(self.input_line.text())
#check if the input has a length that's a multiple of 4
#pad if necessary
if len(input_text) % 4 != 0:
pad_length = len(input_text) % 4
input_text += '=' * pad_length
self.input_line.setText(input_text)
try:
output_text = b64decode(input_text)
except TypeError:
self.output_box.clear()
self.popupWindow('Invalid Input',
'Sorry, input is not proper base64. ')
return
self.output_box.setText(output_text)
self.updateStatus()
#reverse nibble stuff, check length
def reverseNibble(self):
input_text = unicode(self.input_line.text())
#check to see if input length is multiple of 2
#depending on the radio button selected, it
#will truncate, pad, or refuse to decode
if len(input_text) % 2:
if self.truncate_radio.isChecked():
self.popupWindow('Improper Input Length',\
'Input length is not a multiple of 2. Truncating. ')
elif self.pad_radio.isChecked():
self.popupWindow('Improper Input Length',\
'Input length is not a multiple of 2. Padding with "F". ')
input_text += "F"
elif self.refuse_radio.isChecked():
self.popupWindow('Improper Input Length',\
'Input length is not a multiple of 2. Failure to decode. ')
self.output_box.clear()
return
output_text = ''.join([y + x for x, y in zip(*[iter(input_text)] * 2)])
self.output_box.setText(output_text)
self.updateStatus()
#switch from LE to BE and vice versa
def switchEndian(self):
input_text = unicode(self.input_line.text())
if len(input_text) == 0:
return
if len(input_text) % 2:
if self.truncate_radio.isChecked():
input_text = input_text[:-1]
self.popupWindow('Improper Input Length',\
'Input length is not a multiple of 2. Truncating. ')
elif self.pad_radio.isChecked():
input_text += 'F'
self.popupWindow('Improper Input Length',\
'Input length is not a multiple of 2. Padding with "F". ')
elif self.refuse_radio.isChecked():
self.popupWindow('Improper Input Length',\
'Input length is not a multiple of 2. Failure to decode. ')
self.output_box.clear()
return
self.output_box.setText("".join(
reversed(
[input_text[i:i + 2] for i in range(0, len(input_text), 2)])))
self.updateStatus()
#get all the hashes of the input text
def hashText(self):
input_text = unicode(self.input_line.text())
output_text = ''
if self.crc32_check.isChecked():
crc32_hash = hex((crc32(input_text) + (1 << 32)) %
(1 << 32))[2:-1].upper().zfill(8)
output_text += 'CRC32 Hash: {}\n'.format(crc32_hash)
if self.adler_check.isChecked():
adler32_hash = hex(adler32(input_text))[2:].upper().zfill(8)
output_text += 'Adler32 Hash: {}\n'.format(adler32_hash)
if self.md5_check.isChecked():
md5_hash = md5(input_text).hexdigest()
output_text += 'MD5 Hash: {}\n'.format(md5_hash)
if self.sha1_check.isChecked():
sha1_hash = sha1(input_text).hexdigest()
output_text += 'SHA1 Hash: {}\n'.format(sha1_hash)
if self.sha256_check.isChecked():
sha256_hash = sha256(input_text).hexdigest()
output_text += 'SHA256 Hash: {}\n'.format(sha256_hash)
if self.b64_256_check.isChecked():
sha256_64_hash = b64encode(sha256(input_text).digest())
output_text += 'Base64 SHA256 Hash: {}\n'.format(sha256_64_hash)
self.output_box.setText(output_text.rstrip())
self.updateStatus()
#get a vendor for a given mac address or OUI using sqlite db
def findOUIVendor(self):
#remove colons, dashes, uppercase and only take first 3 bytes (6 characters when it's text)
input_text = unicode(self.input_line.text()).replace(':', '').replace(
'-', '').upper()[0:6]
#just gonna see if it's hex or not by trying to int it
try:
int(input_text, 16)
except ValueError:
self.popupWindow('Invalid Input',
'Sorry, input is not a proper MAC or OUI. ')
self.output_box.clear()
return
result = mutator(input_text)
output_text = 'Original OUI: {}\nMatching OUI: {}\nVendor: {}\nMutation: {}\n'.\
format(result[0], result[1], result[2], result[3])
self.output_box.setText(output_text)
self.updateStatus()
#convert ascii to hex
def asciitoHex(self):
input_text = self.input_line.text().encode('utf8')
output_text = hexlify(input_text).upper()
self.output_box.setText(output_text)
self.updateStatus()
#convert hex to ascii, check for validity
def hextoAscii(self):
valid_chars = 'ABCDEF0123456789'
input_text = unicode(self.input_line.text())
if all(c in valid_chars for c in input_text):
if len(input_text) % 2:
if self.truncate_radio.isChecked():
self.popupWindow('Improper Input Length',\
'Input length is not a multiple of 2. Truncated. ')
input_text = input_text[:-1]
elif self.refuse_radio.isChecked():
self.popupWindow('Improper Input Length',\
'Input length is not a multiple of 2. Failure to decode. ')
self.output_box.clear()
return
#check for valid characters (A-F and 0-9) from valid_chars above
output_text = str(unhexlify(input_text))
self.output_box.setText(output_text)
self.updateStatus()
else:
self.popupWindow('Invalid Input',
'Sorry, input is not proper hexadecimal. ')
self.output_box.clear()
def rot13(self):
try:
input_text = unicode(self.input_line.text()).encode('ascii')
except UnicodeEncodeError:
self.popupWindow('Invalid Input',
'Sorry, input is not properly formatted. ')
self.output_box.clear()
return
rot13 = maketrans("ABCDEFGHIJKLMabcdefghijklmNOPQRSTUVWXYZnopqrstuvwxyz",\
"NOPQRSTUVWXYZnopqrstuvwxyzABCDEFGHIJKLMabcdefghijklm")
output_text = translate(input_text, rot13)
self.output_box.setText(output_text)
self.updateStatus()
#needs error checking... not finished
def hexToDecIP(self):
input_text = str(self.input_line.text())
flipped_ip = ("".join(
reversed(
[input_text[i:i + 2] for i in range(0, len(input_text), 2)])))
output_text = ":".join(
[str(int(flipped_ip[x:x + 2], 16)) for x in range(0, 8, 2)])
self.output_box.setText(output_text)
def __init__(self, parent=None):
super(DeviceTable, self).__init__(parent)
self.logger = logging.getLogger('console')
self.records = {}
self.resize(800,800)
self.label_a = QLabel()
self.label_a.setText("A: ")
self.spinbox_a = QSpinBox()
self.spinbox_a.setRange(-103,-38)
self.spinbox_a.setValue(-41)
self.spinbox_a.valueChanged.connect(self.spinboxChanged)
self.spinboxChanged(self.spinbox_a.value())
self.slider_label = QLabel()
self.slider_label.setText(" n:")
self.slider = QSlider()
self.slider.setOrientation(QtCore.Qt.Horizontal)
self.slider.setRange(0, 40)
self.slider.setValue(22)
self.slider.setTickInterval(1)
self.slider.valueChanged.connect(self.sliderChanged)
self.sliderChanged(self.slider.value())
self.button_reset = QPushButton()
self.button_reset.setText("Reset")
self.button_reset.clicked.connect(self.reset)
self.horizontalLayout = QtGui.QHBoxLayout()
self.horizontalLayout.addWidget(self.label_a)
self.horizontalLayout.addWidget(self.spinbox_a)
self.horizontalLayout.addWidget(self.slider_label)
self.horizontalLayout.addWidget(self.slider)
self.horizontalLayout.addWidget(self.button_reset)
self.table = QTableWidget()
self.table.setColumnCount(8)
self.table.setHorizontalHeaderLabels(['MAC','Count','RSSI','RSSI','Distance','RSSI_F', 'DIST_F','Battery'])
# matplotlib stuff
self.figure = plt.figure()
self.canvas = FigureCanvas(self.figure)
self.toolbar = NavigationToolbar(self.canvas, self)
self.buttonPlot = QPushButton('Plot')
self.buttonPlot.clicked.connect(self.plot)
self.plot_layout = QtGui.QVBoxLayout()
self.plot_layout.addWidget(self.toolbar)
self.plot_layout.addWidget(self.canvas)
self.plot_layout.addWidget(self.buttonPlot)
self.ax = self.figure.add_subplot(111)
self.ax.hold(False)
self.statusbar = QStatusBar()
self.statusbar.showMessage('Opening log file')
self.verticalLayout = QtGui.QVBoxLayout()
self.verticalLayout.addWidget(self.table)
self.verticalLayout.addLayout(self.plot_layout)
self.verticalLayout.addWidget(self.statusbar)
self.mainLayout = QtGui.QVBoxLayout(self)
self.mainLayout.addLayout(self.horizontalLayout)
self.mainLayout.addLayout(self.verticalLayout)
self.is_recording = False
self.data = [-50]
self.data_f = [-50]
self.data_y = [0]
class MainWidget(QWidget):
def __init__(self):
QWidget.__init__(self)
# define periodic table widget for element selection
self.periodicTableWidget = widgets.PeriodicTableDialog()
# initial molecule Zmatrix (can be empty)
# self.inp = []
self.inp = [['H'],
['O', 1, 0.9],
['O', 2, 1.4, 1, 105.],
['H', 3, 0.9, 2, 105., 1, 120.]]
self.atomList = []
self.highList = []
self.labelList = []
self.fast = False
# define & initialize ZMatModel that will contain Zmatrix data
self.ZMatModel = QStandardItemModel(len(self.inp), 7, self)
self.ZMatTable = QTableView(self)
self.ZMatTable.setModel(self.ZMatModel)
self.ZMatTable.setFixedWidth(325)
#self.ZMatTable.installEventFilter(self)
#self.ZMatModel.installEventFilter(self)
self.ZMatModel.setHorizontalHeaderLabels(['atom','','bond','','angle','','dihedral'])
for j, width in enumerate([40, 22, 65, 22, 65, 22, 65]):
self.ZMatTable.setColumnWidth(j, width)
# populate the ZMatModel
self.populateZMatModel()
#define Menu bar menus and their actions
self.menuBar = QMenuBar(self)
fileMenu = self.menuBar.addMenu('&File')
editMenu = self.menuBar.addMenu('&Edit')
viewMenu = self.menuBar.addMenu('&View')
measureMenu = self.menuBar.addMenu('&Measure')
helpMenu = self.menuBar.addMenu('&Help')
readZmatAction = QAction('&Read &ZMat', self)
readZmatAction.setShortcut('Ctrl+O')
readZmatAction.setStatusTip('Read Zmat from file')
readZmatAction.triggered.connect(self.readZmat)
fileMenu.addAction(readZmatAction)
readXYZAction = QAction('&Read &XYZ', self)
readXYZAction.setShortcut('Ctrl+Shift+O')
readXYZAction.setStatusTip('Read XYZ from file')
readXYZAction.triggered.connect(self.readXYZ)
fileMenu.addAction(readXYZAction)
readGaussianAction = QAction('&Read &Gaussian log', self)
readGaussianAction.setShortcut('Ctrl+G')
readGaussianAction.setStatusTip('Read Gaussian log file')
readGaussianAction.triggered.connect(self.readGaussian)
fileMenu.addAction(readGaussianAction)
writeZmatAction = QAction('&Write &ZMat', self)
writeZmatAction.setShortcut('Ctrl+S')
writeZmatAction.setStatusTip('Write Zmat to file')
writeZmatAction.triggered.connect(self.writeZmat)
fileMenu.addAction(writeZmatAction)
writeXYZAction = QAction('&Write &XYZ', self)
writeXYZAction.setShortcut('Ctrl+Shift+S')
writeXYZAction.setStatusTip('Write XYZ from file')
writeXYZAction.triggered.connect(self.writeXYZ)
fileMenu.addAction(writeXYZAction)
exitAction = QAction('&Exit', self)
exitAction.setShortcut('Ctrl+Q')
exitAction.setStatusTip('Exit application')
exitAction.triggered.connect(qApp.quit)
fileMenu.addAction(exitAction)
addRowAction = QAction('&Add &row', self)
addRowAction.setShortcut('Ctrl+R')
addRowAction.setStatusTip('Add row to ZMatrix')
addRowAction.triggered.connect(self.addRow)
editMenu.addAction(addRowAction)
deleteRowAction = QAction('&Delete &row', self)
deleteRowAction.setShortcut('Ctrl+Shift+R')
deleteRowAction.setStatusTip('Delete row from ZMatrix')
deleteRowAction.triggered.connect(self.deleteRow)
editMenu.addAction(deleteRowAction)
addAtomAction = QAction('&Add &atom', self)
addAtomAction.setShortcut('Ctrl+A')
addAtomAction.setStatusTip('Add atom to ZMatrix')
addAtomAction.triggered.connect(self.buildB)
editMenu.addAction(addAtomAction)
drawModeMenu = QMenu('Draw mode', self)
viewMenu.addMenu(drawModeMenu)
fastDrawAction = QAction('&Fast draw', self)
fastDrawAction.triggered.connect(self.fastDraw)
normalDrawAction = QAction('&Normal draw', self)
normalDrawAction.triggered.connect(self.normalDraw)
drawModeMenu.addAction(normalDrawAction)
drawModeMenu.addAction(fastDrawAction)
clearHighlightsAction = QAction('&Clear selection', self)
clearHighlightsAction.setShortcut('Ctrl+C')
clearHighlightsAction.setStatusTip('Clear highlighted atoms')
clearHighlightsAction.triggered.connect(self.clearHighlights)
viewMenu.addAction(clearHighlightsAction)
clearLabelsAction = QAction('&Clear labels', self)
clearLabelsAction.setShortcut('Ctrl+Alt+C')
clearLabelsAction.setStatusTip('Clear labels')
clearLabelsAction.triggered.connect(self.clearLabels)
viewMenu.addAction(clearLabelsAction)
clearUpdateViewAction = QAction('&Clear selection and labels', self)
clearUpdateViewAction.setShortcut('Ctrl+Shift+C')
clearUpdateViewAction.setStatusTip('Clear highlighted atoms and labels')
clearUpdateViewAction.triggered.connect(self.clearUpdateView)
viewMenu.addAction(clearUpdateViewAction)
self.showGaussAction = QAction('Show &Gaussian geometry optimization', self)
self.showGaussAction.setShortcut('Ctrl+G')
self.showGaussAction.setStatusTip('Show Gaussian geometry optimization plots for energy, force and displacement.')
self.showGaussAction.setEnabled(False)
self.showGaussAction.triggered.connect(self.showGauss)
viewMenu.addAction(self.showGaussAction)
self.showFreqAction = QAction('Show &IR frequency plot', self)
self.showFreqAction.setShortcut('Ctrl+I')
self.showFreqAction.setStatusTip('Show Gaussian calculated IR frequency plot.')
self.showFreqAction.setEnabled(False)
self.showFreqAction.triggered.connect(self.showFreq)
viewMenu.addAction(self.showFreqAction)
measureDistanceAction = QAction('&Measure &distance', self)
measureDistanceAction.setShortcut('Ctrl+D')
measureDistanceAction.setStatusTip('Measure distance between two atoms')
measureDistanceAction.triggered.connect(self.measureDistanceB)
measureMenu.addAction(measureDistanceAction)
measureAngleAction = QAction('&Measure &angle', self)
measureAngleAction.setShortcut('Ctrl+Shift+D')
measureAngleAction.setStatusTip('Measure angle between three atoms')
measureAngleAction.triggered.connect(self.measureAngleB)
measureMenu.addAction(measureAngleAction)
aboutAction = QAction('&About', self)
aboutAction.setStatusTip('About this program...')
aboutAction.triggered.connect(self.about)
helpMenu.addAction(aboutAction)
aboutQtAction = QAction('&About Qt', self)
aboutQtAction.setStatusTip('About Qt...')
aboutQtAction.triggered.connect(self.aboutQt)
helpMenu.addAction(aboutQtAction)
# define GL widget that displays the 3D molecule model
self.window = widgets.MyGLView()
self.window.installEventFilter(self)
self.window.setMinimumSize(500, 500)
#self.window.setBackgroundColor((50, 0, 10))
self.updateView()
self.gaussianPlot = GraphicsLayoutWidget()
self.gaussianPlot.resize(750, 250)
self.gaussianPlot.setWindowTitle('Gaussian geometry optimization')
#self.gaussianPlot.setAspectLocked(True)
#self.gaussianPlot.addLayout(rowspan=3, colspan=1)
self.FreqModel = QStandardItemModel(1, 3, self)
self.freqTable = QTableView(self)
self.freqTable.setModel(self.FreqModel)
self.freqTable.setMinimumWidth(240)
self.freqTable.installEventFilter(self)
self.FreqModel.installEventFilter(self)
self.FreqModel.setHorizontalHeaderLabels(['Frequency','IR Intensity','Raman Intensity'])
for j, width in enumerate([80, 80, 80]):
self.freqTable.setColumnWidth(j, width)
self.freqWidget = QWidget()
self.freqWidget.setWindowTitle('IR frequency plot & table')
self.freqWidget.resize(800, 400)
self.freqWidget.layout = QHBoxLayout(self.freqWidget)
self.freqWidget.layout.setSpacing(1)
self.freqWidget.layout.setContentsMargins(1, 1, 1, 1)
self.freqPlot = GraphicsLayoutWidget()
self.freqWidget.layout.addWidget(self.freqPlot)
self.freqWidget.layout.addWidget(self.freqTable)
self.freqTable.clicked.connect(self.freqCellClicked)
# define other application parts
self.statusBar = QStatusBar(self)
self.fileDialog = QFileDialog(self)
# define application layout
self.layout = QVBoxLayout(self)
self.layout.setSpacing(1)
self.layout.setContentsMargins(1, 1, 1, 1)
self.layout1 = QHBoxLayout()
self.layout1.setSpacing(1)
self.layout1.addWidget(self.ZMatTable)
self.layout1.addWidget(self.window)
self.layout.addWidget(self.menuBar)
self.layout.addLayout(self.layout1)
self.layout.addWidget(self.statusBar)
self.adjustSize()
self.setWindowTitle('Moldy')
iconPath = 'icon.png'
icon = QIcon(iconPath)
icon.addFile(iconPath, QSize(16, 16))
icon.addFile(iconPath, QSize(24, 24))
icon.addFile(iconPath, QSize(32, 32))
icon.addFile(iconPath, QSize(48, 48))
icon.addFile(iconPath, QSize(256, 256))
self.setWindowIcon(icon)
# start monitoring changes in the ZMatModel
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
# run and show the application
def run(self):
self.show()
self.ZMatTable.clicked.connect(self.ZMatCellClicked)
qt_app.instance().aboutToQuit.connect(self.deleteGLwidget)
qt_app.exec_()
# fill the ZMatModel with initial data from 'self.inp'
def populateZMatModel(self):
self.ZMatModel.removeRows(0, self.ZMatModel.rowCount())
for i, row in enumerate(self.inp):
for j, cell in enumerate(row):
item = QStandardItem(str(cell))
self.ZMatModel.setItem(i, j, item)
# some cells should not be editable, they are disabled
for i in range(min(len(self.inp), 3)):
for j in range(2*i+1, 7):
self.ZMatModel.setItem(i, j, QStandardItem())
self.ZMatModel.item(i, j).setBackground(QColor(150,150,150))
self.ZMatModel.item(i, j).setFlags(Qt.ItemIsEnabled)
def populateFreqModel(self):
self.FreqModel.removeRows(0, self.FreqModel.rowCount())
for i, row in enumerate(zip(self.vibfreqs, self.vibirs, self.vibramans)):
for j, cell in enumerate(row):
item = QStandardItem(str(cell))
self.FreqModel.setItem(i, j, item)
# add a row to the bottom of the ZMatModel
def addRow(self):
# temporarily stop updating the GL window
self.ZMatModel.dataChanged.disconnect(self.clearUpdateView)
row = self.ZMatModel.rowCount()
self.ZMatModel.insertRow(row)
# some cells should not be editable
if row < 3:
for j in range(2*row+1, 7):
self.ZMatModel.setItem(row, j, QStandardItem())
self.ZMatModel.item(row, j).setBackground(QColor(150,150,150))
self.ZMatModel.item(row, j).setFlags(Qt.ItemIsEnabled)
# restart GL window updating
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
self.statusBar.clearMessage()
self.statusBar.showMessage('Added 1 row.', 3000)
# delete the last row of the ZMatModel
def deleteRow(self):
xyz = [list(vi) for vi in list(v)]
atoms = [str(elements[e]) for e in elems]
oldLen = self.ZMatModel.rowCount()
idxs = sorted(set(idx.row() for idx in self.ZMatTable.selectedIndexes()), reverse=True)
newLen = oldLen - len(idxs)
if newLen == oldLen:
self.ZMatModel.removeRow(self.ZMatModel.rowCount()-1)
else:
self.ZMatModel.dataChanged.disconnect(self.clearUpdateView)
for idx in idxs:
self.ZMatModel.removeRow(idx)
if idx < 3:
for i in range(idx, min(3, newLen)):
for j in range(2*i+1, 7):
self.ZMatModel.setItem(i, j, QStandardItem())
self.ZMatModel.item(i, j).setBackground(QColor(150,150,150))
self.ZMatModel.item(i, j).setFlags(Qt.ItemIsEnabled)
if len(xyz) > idx:
xyz.pop(idx)
atoms.pop(idx)
self.inp = xyz2zmat(xyz, atoms)
self.populateZMatModel()
for i in reversed(self.highList):
self.window.removeItem(i[1])
self.highList = []
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
self.updateView()
self.statusBar.clearMessage()
if idxs:
self.statusBar.showMessage('Deleted row(s): '+str([i+1 for i in idxs]), 3000)
else:
self.statusBar.showMessage('Deleted last row.', 3000)
# show the periodic table widget
def periodicTable(self):
self.statusBar.clearMessage()
self.statusBar.showMessage('Select element from periodic table.')
self.periodicTableWidget.exec_()
selection = self.periodicTableWidget.selection()
return selection
# import molecule with zmatrix coordinates
def readZmat(self):
self.ZMatModel.dataChanged.disconnect(self.clearUpdateView)
filename = self.fileDialog.getOpenFileName(self, 'Open file', expanduser('~'), '*.zmat;;*.*')
self.inp = []
self.populateZMatModel()
if filename:
with open(filename, 'r') as f:
next(f)
next(f)
for row in f:
self.inp.append(row.split())
f.close()
self.populateZMatModel()
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
self.updateView()
self.statusBar.clearMessage()
self.statusBar.showMessage('Read molecule from '+filename+'.', 5000)
self.showGaussAction.setEnabled(False)
self.showFreqAction.setEnabled(False)
# import molecule with xyz coordinates
def readXYZ(self):
self.ZMatModel.dataChanged.disconnect(self.clearUpdateView)
filename = self.fileDialog.getOpenFileName(self, 'Open file', expanduser('~'), '*.xyz;;*.*')
xyz = []
elems = []
self.inp = []
self.populateZMatModel()
if filename:
with open(filename, 'r') as f:
next(f)
next(f)
for row in f:
rs = row.split()
if len(rs) == 4:
elems.append(rs[0])
xyz.append([float(f) for f in rs[1:]])
f.close()
self.inp = xyz2zmat(xyz, elems)
self.populateZMatModel()
#print(elems)
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
self.updateView()
self.statusBar.clearMessage()
self.statusBar.showMessage('Read molecule from '+filename+'.', 5000)
self.showGaussAction.setEnabled(False)
self.showFreqAction.setEnabled(False)
# import Gaussian log file
def readGaussian(self):
global vsShifted
self.ZMatModel.dataChanged.disconnect(self.clearUpdateView)
filename = self.fileDialog.getOpenFileName(self, 'Open file', expanduser('~'), '*.log;;*.*')
if filename:
self.gaussianPlot.clear()
self.inp = []
self.populateZMatModel()
file = ccopen(filename)
data = file.parse().getattributes()
self.natom = data['natom']
self.atomnos = data['atomnos'].tolist()
self.atomsymbols = [ str(elements[e]) for e in self.atomnos ]
self.atomcoords = data['atomcoords'].tolist()
self.scfenergies = data['scfenergies'].tolist()
self.geovalues = data['geovalues'].T.tolist()
self.geotargets = data['geotargets'].tolist()
if 'vibfreqs' in data.keys():
self.vibfreqs = data['vibfreqs']
#print(self.vibfreqs)
self.vibirs = data['vibirs']
#print(self.vibirs)
#print(data.keys())
if 'vibramans' in data.keys():
self.vibramans = data['vibramans']
else:
self.vibramans = [''] * len(self.vibirs)
self.vibdisps = data['vibdisps']
#print(self.vibdisps)
self.inp = xyz2zmat(self.atomcoords[0], self.atomsymbols)
self.populateZMatModel()
titles = ['SCF Energies', 'RMS & Max Forces', 'RMS & Max Displacements']
for i in range(3):
self.gaussianPlot.addPlot(row=1, col=i+1)
plot = self.gaussianPlot.getItem(1, i+1)
plot.setTitle(title=titles[i])
if i == 0:
c = ['c']
x = [0]
y = [self.scfenergies]
else:
c = ['r', 'y']
x = [0, 0]
y = [self.geovalues[2*i-2], self.geovalues[2*i-1]]
targety = [self.geotargets[2*i-2], self.geotargets[2*i-1]]
plot.clear()
plot.maxData = plot.plot(y[0], symbol='o', symbolPen=c[0], symbolBrush=c[0], pen=c[0], symbolSize=5, pxMode=True, antialias=True, autoDownsample=False)
plot.highlight=plot.plot(x, [ yy[0] for yy in y ], symbol='o', symbolPen='w', symbolBrush=None, pen=None, symbolSize=15, pxMode=True, antialias=True, autoDownsample=False)
plot.maxData.sigPointsClicked.connect(self.gausclicked)
if i > 0:
for j in range(2):
plot.addLine(y=np.log10(targety[j]), pen=mkPen((255, 255*j, 0, int(255/2)), width=1))
plot.RMSData=plot.plot(y[1], symbol='o', symbolPen=c[1], symbolBrush=c[1], pen=c[1], symbolSize=5, pxMode=True, antialias=True, autoDownsample=False)
plot.RMSData.sigPointsClicked.connect(self.gausclicked)
plot.setLogMode(y=True)
self.showGauss()
self.updateView()
self.statusBar.clearMessage()
self.statusBar.showMessage('Read molecule from '+filename+'.', 5000)
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
if self.natom:
self.showGaussAction.setEnabled(True)
if 'vibfreqs' in data.keys():
self.showFreqAction.setEnabled(True)
# populate the FreqModel
self.populateFreqModel()
self.freqPlot.clear()
irPlot = self.freqPlot.addPlot(row=1, col=1)
irPlot.clear()
minFreq = np.min(self.vibfreqs)
maxFreq = np.max(self.vibfreqs)
maxInt = np.max(self.vibirs)
x = np.sort(np.concatenate([np.linspace(minFreq-100, maxFreq+100, num=1000), self.vibfreqs]))
y = x*0
for f,i in zip(self.vibfreqs, self.vibirs):
y += lorentzv(x, f, 2*np.pi, i)
#xy = np.array([np.concatenate([x, np.array(self.vibfreqs)]), np.concatenate([y, np.array(self.vibirs)])]).T
#xysort = xy[xy[:,0].argsort()]
irPlot.maxData = irPlot.plot(x, y, antialias=True)
markers = ErrorBarItem(x=self.vibfreqs, y=self.vibirs, top=maxInt/30, bottom=None, pen='r')
irPlot.addItem(markers)
self.showFreq()
#self.vibdisps = np.append(self.vibdisps, [np.mean(self.vibdisps, axis=0)], axis=0)
maxt = 100
vsShifted = np.array([ [ vs + self.vibdisps[i]*np.sin(t*2*np.pi/maxt)/3 for t in range(maxt) ] for i in range(len(self.vibfreqs)) ])
else:
self.showFreqAction.setEnabled(False)
self.freqWidget.hide()
def showGauss(self):
self.gaussianPlot.show()
def showFreq(self):
self.freqWidget.show()
# export Zmatrix to csv
def writeZmat(self):
zm = model2list(self.ZMatModel)
filename = self.fileDialog.getSaveFileName(self, 'Save file', expanduser('~')+'/'+getFormula(list(list(zip(*zm))[0]))+'.zmat', '*.zmat;;*.*')
try:
filename
except NameError:
pass
else:
if filename:
writeOutput(zm, filename)
self.statusBar.clearMessage()
self.statusBar.showMessage('Wrote molecule to '+filename+'.', 5000)
# export XYZ coordinates to csv
def writeXYZ(self):
xyz = []
zm = model2list(self.ZMatModel)
for i in range(len(v)):
xyz.append(np.round(v[i], 7).tolist())
xyz[i][:0] = zm[i][0]
if len(v) > 0:
formula = getFormula(list(list(zip(*xyz))[0]))
else:
formula = 'moldy_output'
filename = self.fileDialog.getSaveFileName(self, 'Save file', expanduser('~')+'/'+formula+'.xyz', '*.xyz;;*.*')
try:
filename
except NameError:
pass
else:
if filename:
writeOutput(xyz, filename)
self.statusBar.clearMessage()
self.statusBar.showMessage('Wrote molecule to '+filename+'.', 5000)
# redraw the 3D molecule in GL widget
def updateView(self):
global r
global c
global v
global vs
global elems
global nelems
data = model2list(self.ZMatModel)
try:
# create a list with element coordinates
v = zmat2xyz(data)
except (AssertionError, IndexError, ZMError):
pass
else:
# clear the screen before redraw
for item in reversed(self.window.items):
self.window.removeItem(item)
# create a second coordinate list 'vs' that is centered in the GL view
self.atomList = []
if len(v) > 0:
shift = np.mean(v, axis=0)
vs = np.add(v, -shift)
elems = [ 1 + next((i for i, sublist in enumerate(colors) if row[0] in sublist), -1) for row in data ]
nelems = len(elems)
# define molecule radii and colors
r = []
c = []
for i in elems:
r.append(elements[i].covalent_radius)
c.append(colors[i-1][-1])
# draw atoms
for i in range(nelems):
addAtom(self.window, i, r, vs, c, fast=self.fast)
self.atomList.append([i, self.window.items[-1]])
#print(self.atomList)
# draw bonds where appropriate
combs = list(itertools.combinations(range(nelems), 2))
bonds = []
for i in combs:
bonds.append(addBond(self.window, i[0], i[1], r, vs, c, fast=self.fast))
if self.fast:
bondedAtoms = set(filter((None).__ne__, flatten(bonds)))
for i in set(range(nelems)) - bondedAtoms:
addUnbonded(self.window, i, vs, c)
self.atomList[i][1]=self.window.items[-1]
#print(self.atomList)
for i in self.highList:
self.window.addItem(i[1])
for i in self.labelList:
self.window.addItem(i)
if len(v) > 1:
maxDim = float('-inf')
for dim in v.T:
span = max(dim)-min(dim)
if span > maxDim:
maxDim = span
else: maxDim = 2
self.window.setCameraPosition(distance=maxDim*1.5+1)
global index
index = 0
def updateFreq(self):
global vsShifted, index, r, c
index += 1
index = index % len(vsShifted[0])
#print(index)
#print(vsShifted[index])
for item in reversed(self.window.items):
self.window.removeItem(item)
for i in range(nelems):
addAtom(self.window, i, r, vsShifted[self.freqIndex, index], c, fast=self.fast)
self.atomList.append([i, self.window.items[-1]])
combs = itertools.combinations(range(nelems), 2)
bonds = []
for i in combs:
bonds.append(addBond(self.window, i[0], i[1], r, vsShifted[self.freqIndex, index], c, fast=self.fast))
if self.fast:
bondedAtoms = set(filter((None).__ne__, flatten(bonds)))
for i in set(range(nelems)) - bondedAtoms:
addUnbonded(self.window, i, vsShifted[self.freqIndex, index], c)
self.atomList[i][1]=self.window.items[-1]
# detect mouse clicks in GL window and process them
def eventFilter(self, obj, event):
if obj == self.window:
if event.type() == event.MouseButtonPress:
itms = obj.itemsAt((event.pos().x()-2, event.pos().y()-2, 4, 4))
if len(itms):
self.highlight(obj, [itms[0]])
elif len(self.atomList) == 0:
self.build()
# also do the default click action
return super(MainWidget, self).eventFilter(obj, event)
def ZMatCellClicked(self):
idxs = sorted(set(idx.row() for idx in self.ZMatTable.selectedIndexes()), reverse=True)
itms = []
if self.highList:
highIdx = list(np.array(self.highList).T[0])
for idx in idxs:
if self.highList and idx in highIdx:
itms.append(self.highList[highIdx.index(idx)][1])
elif len(self.atomList) > idx:
itms.append(self.atomList[idx][1])
self.highlight(self.window, itms)
def freqCellClicked(self):
global vsShifted
self.timer = QTimer()
self.timer.setInterval(30)
self.timer.timeout.connect(self.updateFreq)
idxs = [ idx.row() for idx in self.freqTable.selectedIndexes() ]
if len(idxs) == 1:
self.freqIndex = idxs[0]
self.timer.stop()
self.timer.timeout.connect(self.updateFreq)
try:
self.ZMatModel.dataChanged.disconnect(self.clearUpdateView)
except TypeError:
pass
self.timer.start()
if len(idxs) != 1:
self.timer.stop()
self.freqTable.clearSelection()
self.timer.timeout.disconnect(self.updateFreq)
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
self.clearUpdateView()
def gausclicked(self, item, point):
itemdata = item.scatter.data
points = [ row[7] for row in itemdata ]
idx = points.index(point[0])
for i in range(3):
if i == 0:
x = [idx]
y = [self.scfenergies[idx]]
else:
x = [idx, idx]
y = [self.geovalues[2*i-2][idx], self.geovalues[2*i-1][idx]]
plot = self.gaussianPlot.getItem(1, i+1)
plot.removeItem(plot.highlight)
plot.highlight=plot.plot(x, y, symbol='o', symbolPen='w', symbolBrush=None, pen=None, symbolSize=15, pxMode=True, antialias=True, autoDownsample=False)
self.ZMatModel.dataChanged.disconnect(self.clearUpdateView)
self.inp = []
self.populateZMatModel()
self.inp = xyz2zmat(self.atomcoords[min(idx, len(self.atomcoords)-1)], self.atomsymbols)
self.populateZMatModel()
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
self.updateView()
def highlight(self, obj, itms):
for itm in itms:
idx = next((i for i, sublist in enumerate(self.atomList) if itm in sublist), -1)
#print(idx)
if idx != -1:
addAtom(obj, idx, r, vs, c, opt='highlight', fast=self.fast)
self.highList.append([idx, obj.items[-1]])
self.ZMatTable.selectRow(idx)
idx = next((i for i, sublist in enumerate(self.highList) if itm in sublist), -1)
if idx != -1:
obj.removeItem(self.highList[idx][1])
self.highList.pop(idx)
self.ZMatTable.clearSelection()
self.statusBar.clearMessage()
if len(self.highList) > 0:
idxs = np.asarray(self.highList).T[0]
selected = []
for i in idxs:
selected.append(str(i+1)+str(elements[elems[i]]))
self.statusBar.showMessage('Selected atoms: '+str(selected), 5000)
def buildB(self):
try:
nelems
except NameError:
self.build()
else:
if len(self.highList) <= min(nelems, 3):
diff = min(nelems, 3) - len(self.highList)
if diff != 0:
self.statusBar.clearMessage()
self.statusBar.showMessage('Please select '+str(diff)+' more atom(s).')
else:
self.build()
else:
self.statusBar.clearMessage()
self.statusBar.showMessage('Too many atoms selected.')
def build(self):
selection = self.periodicTable()
row = self.ZMatModel.rowCount()
self.addRow()
self.ZMatModel.dataChanged.disconnect(self.clearUpdateView)
newSymbol = selection[1]
newData = [newSymbol]
if len(self.highList) >= 1:
newBond = round(2.1*gmean([ elements[e].covalent_radius for e in [selection[0], elems[self.highList[0][0]]] ]), 4)
newData.append(self.highList[0][0]+1)
newData.append(newBond)
if len(self.highList) >= 2:
newAngle = 109.4712
newData.append(self.highList[1][0]+1)
newData.append(newAngle)
if len(self.highList) == 3:
newDihedral = 120.
newData.append(self.highList[2][0]+1)
newData.append(newDihedral)
for j, cell in enumerate(newData):
item = QStandardItem(str(cell))
self.ZMatModel.setItem(row, j, item)
self.highList = []
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
self.updateView()
def measureDistanceB(self):
sel = len(self.highList)
if sel <= 2:
if sel < 2:
self.statusBar.clearMessage()
self.statusBar.showMessage('Please select '+str(2-sel)+' more atom(s).')
else:
self.measureDistance()
else:
self.statusBar.clearMessage()
self.statusBar.showMessage('Too many atoms selected.')
def measureDistance(self):
pts = []
for pt in self.highList:
pts.append(vs[pt[0]])
pts = np.array(pts)
self.clearHighlights()
line = gl.GLLinePlotItem(pos=pts, color=(0., 1., 0., 1.), width=3)
self.window.addItem(line)
self.labelList.append(line)
q = pts[1]-pts[0]
dist = round(np.sqrt(np.dot(q, q)), 4)
self.window.labelPos.append(np.mean(pts[0:2], axis=0))
self.window.labelText.append(str(dist))
self.statusBar.clearMessage()
self.statusBar.showMessage('Measured distance: '+str(dist)+' A.', 3000)
def measureAngleB(self):
sel = len(self.highList)
if sel <= 3:
if sel < 3:
self.statusBar.clearMessage()
self.statusBar.showMessage('Please select '+str(3-sel)+' more atom(s).')
else:
self.measureAngle()
else:
self.statusBar.clearMessage()
self.statusBar.showMessage('Too many atoms selected.')
def measureAngle(self):
pts = []
for pt in self.highList:
pts.append(vs[pt[0]])
pts = np.array(pts)
q = pts[1]-pts[0]
r = pts[2]-pts[0]
q_u = q / np.sqrt(np.dot(q, q))
r_u = r / np.sqrt(np.dot(r, r))
angle = round(degrees(acos(np.dot(q_u, r_u))), 1)
srange = np.array([slerp(q, r, t) for t in np.arange(0.0, 13/12, 1/12)])
self.clearHighlights()
for i in range(12):
mesh = gl.MeshData(np.array([[0,0,0],srange[i],srange[i+1]]))
tri = gl.GLMeshItem(meshdata=mesh, smooth=False, computeNormals=False, color=(0.3, 1., 0.3, 0.5), glOptions=('translucent'))
tri.translate(pts[0][0], pts[0][1], pts[0][2])
self.window.addItem(tri)
self.labelList.append(tri)
self.window.labelPos.append(slerp(q, r, 0.5)+pts[0])
self.window.labelText.append(str(angle))
self.statusBar.clearMessage()
self.statusBar.showMessage('Measured angle: '+str(angle)+'°', 3000)
def clearLabels(self):
self.window.labelPos = []
self.window.labelText = []
self.labelList = []
self.updateView()
def clearHighlights(self):
for item in reversed(self.highList):
self.window.removeItem(item[1])
self.highList = []
self.updateView()
def clearUpdateView(self):
self.window.labelPos = []
self.window.labelText = []
self.labelList = []
for item in reversed(self.highList):
self.window.removeItem(item[1])
self.highList = []
self.updateView()
#print(self.highList)
def fastDraw(self):
if not self.fast:
self.fast = True
self.updateView()
def normalDraw(self):
if self.fast:
self.fast = False
self.updateView()
def about(self):
QMessageBox.about(self, 'About moldy', 'moldy beta 15. 9. 2015')
def aboutQt(self):
QMessageBox.aboutQt(self, 'About Qt')
def deleteGLwidget(self):
self.window.setParent(None)
del self.window
class LayoutWindow(QWidget):
SLIDER_RESOLUTION = 1000
DIAL_RESOLUTION = 50
def __init__(self,parent=None):
QWidget.__init__(self,parent)
self.initWidgets()
def initWidgets(self):
self.ui_VideoFrame = VideoWidget(self)
self.ui_Slider = QtGui.QSlider(QtCore.Qt.Horizontal)
#contribution:
#self.ui_Slider.setStyleSheet(stylesheet(self))
self.ui_Slider.setMinimum(0)
self.ui_Slider.setMaximum(self.SLIDER_RESOLUTION)
self.ui_Slider.setToolTip("Video track")
#self.ui_Slider.setTickPosition(Qt.TicksAbove)
self.ui_Dial = QDial(self)
self.ui_Dial.setProperty("value", 0)
self.ui_Dial.setNotchesVisible(True)
self.ui_Dial.setWrapping(False)
self.ui_Dial.setNotchTarget(5.0)
self.ui_Dial.setToolTip("Fine tuning")
self.setDialResolution(self.DIAL_RESOLUTION)
self.ui_GotoField = QSpinBox(self)
self.ui_GotoField.setValue(1)
self.ui_GotoField.setToolTip("Goto Frame")
self.ui_InfoLabel = QLabel(self)
changeBackgroundColor(self.ui_InfoLabel , "lightblue")
self.ui_InfoLabel.setText("")
self.ui_InfoLabel.setToolTip("Infos about the video position")
self.ui_CB_Reencode = QCheckBox(self)
self.ui_CB_Reencode.setText("Exact cut")
self.ui_CB_Reencode.setChecked(False)
self.ui_CB_Reencode.setToolTip("Exact cut is slow, but precise")
self.ui_List = self.__createListWidget()
#self._listSplitter = QSplitter() ->add as widget...+QVBoxLayout
#self._listSplitter.addWidget(iconList)
#status bar
self.statusbar = QStatusBar(self)
self.statusbar.setSizeGripEnabled(True)
self.statusbar.showMessage("Idle")
self.statusbar.addPermanentWidget(self.__createProgressBar())
self.setLayout(self.makeGridLayout())
self.adjustSize()
def makeGridLayout(self):
gridLayout = QGridLayout()
self.ui_List.setSizePolicy(QSizePolicy.Minimum,QSizePolicy.Expanding)
gridLayout.addWidget(self.ui_List,0,0,5,1)
#row column, rowSpan, columnSpan
gridLayout.addWidget(self.ui_VideoFrame,0,2,3,-1);
gridLayout.addWidget(self.ui_GotoField,4,1,1,20)
gridLayout.addWidget(self.ui_InfoLabel,4,26,1,90)
gridLayout.addWidget(self.ui_CB_Reencode,4,121)
gridLayout.addWidget(self.ui_Slider,5,0,1,120)
gridLayout.addWidget(self.ui_Dial,5,121)
gridLayout.addWidget(self.statusbar,6,0,1,122)
return gridLayout
def makeBoxLayout(self):
vbox = QVBoxLayout()
vbox.addWidget(self.ui_VideoFrame)
vbox.addWidget(self.ui_InfoLabel );
slidehbox = QHBoxLayout()
slidehbox.addWidget(self.ui_Slider)
slidehbox.addWidget(self.ui_Dial)
midHBox = QHBoxLayout()
midHBox.addWidget(self.ui_List)
self.ui_List.setSizePolicy(QSizePolicy.Minimum,QSizePolicy.Expanding)
midHBox.addLayout(vbox)
mainVBox = QVBoxLayout()
mainVBox.addLayout(midHBox)
mainVBox.addStretch(1)
mainVBox.addLayout(slidehbox)
return mainVBox
def showInfo(self,text):
self.ui_InfoLabel.setText(text)
def showStatusMessage(self,text):
self.statusbar.showMessage(text)
def setDialResolution(self,resolution):
self.ui_Dial.setMinimum(-resolution/2)
self.ui_Dial.setMaximum(resolution/2)
def syncSliderPos(self,pos):
self.ui_Slider.setSliderPosition(pos)
def setSliderTicks(self,ticks):
self.ui_Slider.setSingleStep(ticks)
self.ui_Slider.setPageStep(ticks*2)
def setGotoFieldMaximum(self,count):
self.ui_GotoField.setMaximum(count)
def clearVideoFrame(self):
self.ui_VideoFrame.showFrame(None)
### Marks
def addCutMark(self,frame,cutEntry,rowIndex):
item = QListWidgetItem()
img = CVImage(frame).scaled(self.ui_VideoFrame.imageRatio*SIZE_ICON, SIZE_ICON)
pix = QtGui.QPixmap.fromImage(img)
item.setIcon(QIcon(pix))
if cutEntry.isStartMode():
item.setBackgroundColor(QColor(224,255,224))
else:
item.setBackgroundColor(QColor(255,224,224))
self.ui_List.insertItem(rowIndex,item)
text = "%s <br> F: %s<br> T: %s" %(cutEntry.modeString,str(cutEntry.frameNumber),str(cutEntry.getTimeString()))
marker = QLabel(text)
marker.setWordWrap(True)
marker.layout()
self.ui_List.setItemWidget(item,marker)
self.ui_List.setIconSize(QSize(SIZE_ICON,SIZE_ICON)) #Forces an update!
self.ui_List.setCurrentItem(item)
def hookEvents(self,aVideoController):
self.__videoController=aVideoController #for menu callbacks
self.ui_Slider.valueChanged.connect(aVideoController.sliderMoved)
self.ui_Dial.valueChanged.connect(aVideoController.dialChanged)
self.ui_Dial.sliderReleased.connect(self.__resetDial)
self.ui_GotoField.editingFinished.connect(self.__gotoFrame)
self.ui_CB_Reencode.stateChanged.connect(aVideoController.setExactCut)
self.statusMessenger = StatusDispatcher()
self.connect(self.statusMessenger,self.statusMessenger.signal,self.showStatusMessage)
self._hookListActions()
def keyReleaseEvent(self,event):
self.__resetDial()
def _hookListActions(self):
#TOO bad-the list model -should be here...
rmAction = QtGui.QAction(QtGui.QIcon('icons/close-x.png'), 'Delete', self)
rmAction.triggered.connect(self._removeMarker)
rmAllAction = QtGui.QAction(QtGui.QIcon('icons/clear-all.png'), 'Remove all', self)
rmAllAction.triggered.connect(self.purgeMarker)
self.gotoAction = QtGui.QAction(QtGui.QIcon('icons/go-next.png'), 'Goto', self)
self.gotoAction.triggered.connect(self._gotoFromMarker)
#menus
self.ui_List.customContextMenuRequested.connect(self._openListMenu)
self._listMenu = QMenu()
self._listMenu.addAction(self.gotoAction)
self._listMenu.addSeparator()
self._listMenu.addAction(rmAction)
self._listMenu.addAction(rmAllAction)
def __resetDial(self):
self.ui_Dial.setProperty("value", 0)
def __gotoFrame(self):
self.__videoController._gotoFrame(self.ui_GotoField.value())
def __createProgressBar(self):
self.progressBar = QtGui.QProgressBar(self)
#self.progressBar.setRange(0,1)
#self.progressBar.setValue(-1)
#self.progressBar.reset()
self.progressBar.setMinimum(0)
self.progressBar.setMaximumWidth(150)
self.progressBar.setVisible(False)
return self.progressBar
def showBusy(self):
self.progressBar.setRange(0,0)
self.progressBar.setVisible(True)
def stopProgress(self):
self.progressBar.setVisible(False)
def __createListWidget(self):
iconList=QListWidget()
iconList.setAlternatingRowColors(True)
iconList.setContextMenuPolicy(Qt.CustomContextMenu)
#iconList.setStyleSheet("QListWidget { background: red; } QListWidget::item { background: yellow; } QListWidget::item:selected { background: blue; }")
iconList.setStyleSheet("QListWidget::item:selected:active { background: #28D9FF; color:#FFFFFF; } ")#that text color seems not to work!
return iconList
#---List widget context menu
def _removeMarker(self,whatis):
selectionList = self.ui_List.selectedIndexes()
if len(selectionList)==0:
return
item = selectionList[0]
self.ui_List.takeItem(item.row())
self.__videoController.removeVideoCutIndex(item.row())
def clearMarkerList(self):
self.ui_List.clear()
#remove contents, remove file
def purgeMarker(self):
self.ui_List.clear()
self.__videoController.purgeVideoCuts()
def _gotoFromMarker(self,whatis):
selectionList = self.ui_List.selectedIndexes()
if len(selectionList)==0:
return
item = selectionList[0]
self.__videoController.gotoCutIndex(item.row())
def _openListMenu(self,position):
selectionList = self.ui_List.selectedIndexes()
if len(selectionList)==0:
return
self._listMenu.exec_(self.ui_List.viewport().mapToGlobal(position))
def __init__(self):
QWidget.__init__(self)
# define periodic table widget for element selection
self.periodicTableWidget = widgets.PeriodicTableDialog()
# initial molecule Zmatrix (can be empty)
# self.inp = []
self.inp = [['H'],
['O', 1, 0.9],
['O', 2, 1.4, 1, 105.],
['H', 3, 0.9, 2, 105., 1, 120.]]
self.atomList = []
self.highList = []
self.labelList = []
self.fast = False
# define & initialize ZMatModel that will contain Zmatrix data
self.ZMatModel = QStandardItemModel(len(self.inp), 7, self)
self.ZMatTable = QTableView(self)
self.ZMatTable.setModel(self.ZMatModel)
self.ZMatTable.setFixedWidth(325)
#self.ZMatTable.installEventFilter(self)
#self.ZMatModel.installEventFilter(self)
self.ZMatModel.setHorizontalHeaderLabels(['atom','','bond','','angle','','dihedral'])
for j, width in enumerate([40, 22, 65, 22, 65, 22, 65]):
self.ZMatTable.setColumnWidth(j, width)
# populate the ZMatModel
self.populateZMatModel()
#define Menu bar menus and their actions
self.menuBar = QMenuBar(self)
fileMenu = self.menuBar.addMenu('&File')
editMenu = self.menuBar.addMenu('&Edit')
viewMenu = self.menuBar.addMenu('&View')
measureMenu = self.menuBar.addMenu('&Measure')
helpMenu = self.menuBar.addMenu('&Help')
readZmatAction = QAction('&Read &ZMat', self)
readZmatAction.setShortcut('Ctrl+O')
readZmatAction.setStatusTip('Read Zmat from file')
readZmatAction.triggered.connect(self.readZmat)
fileMenu.addAction(readZmatAction)
readXYZAction = QAction('&Read &XYZ', self)
readXYZAction.setShortcut('Ctrl+Shift+O')
readXYZAction.setStatusTip('Read XYZ from file')
readXYZAction.triggered.connect(self.readXYZ)
fileMenu.addAction(readXYZAction)
readGaussianAction = QAction('&Read &Gaussian log', self)
readGaussianAction.setShortcut('Ctrl+G')
readGaussianAction.setStatusTip('Read Gaussian log file')
readGaussianAction.triggered.connect(self.readGaussian)
fileMenu.addAction(readGaussianAction)
writeZmatAction = QAction('&Write &ZMat', self)
writeZmatAction.setShortcut('Ctrl+S')
writeZmatAction.setStatusTip('Write Zmat to file')
writeZmatAction.triggered.connect(self.writeZmat)
fileMenu.addAction(writeZmatAction)
writeXYZAction = QAction('&Write &XYZ', self)
writeXYZAction.setShortcut('Ctrl+Shift+S')
writeXYZAction.setStatusTip('Write XYZ from file')
writeXYZAction.triggered.connect(self.writeXYZ)
fileMenu.addAction(writeXYZAction)
exitAction = QAction('&Exit', self)
exitAction.setShortcut('Ctrl+Q')
exitAction.setStatusTip('Exit application')
exitAction.triggered.connect(qApp.quit)
fileMenu.addAction(exitAction)
addRowAction = QAction('&Add &row', self)
addRowAction.setShortcut('Ctrl+R')
addRowAction.setStatusTip('Add row to ZMatrix')
addRowAction.triggered.connect(self.addRow)
editMenu.addAction(addRowAction)
deleteRowAction = QAction('&Delete &row', self)
deleteRowAction.setShortcut('Ctrl+Shift+R')
deleteRowAction.setStatusTip('Delete row from ZMatrix')
deleteRowAction.triggered.connect(self.deleteRow)
editMenu.addAction(deleteRowAction)
addAtomAction = QAction('&Add &atom', self)
addAtomAction.setShortcut('Ctrl+A')
addAtomAction.setStatusTip('Add atom to ZMatrix')
addAtomAction.triggered.connect(self.buildB)
editMenu.addAction(addAtomAction)
drawModeMenu = QMenu('Draw mode', self)
viewMenu.addMenu(drawModeMenu)
fastDrawAction = QAction('&Fast draw', self)
fastDrawAction.triggered.connect(self.fastDraw)
normalDrawAction = QAction('&Normal draw', self)
normalDrawAction.triggered.connect(self.normalDraw)
drawModeMenu.addAction(normalDrawAction)
drawModeMenu.addAction(fastDrawAction)
clearHighlightsAction = QAction('&Clear selection', self)
clearHighlightsAction.setShortcut('Ctrl+C')
clearHighlightsAction.setStatusTip('Clear highlighted atoms')
clearHighlightsAction.triggered.connect(self.clearHighlights)
viewMenu.addAction(clearHighlightsAction)
clearLabelsAction = QAction('&Clear labels', self)
clearLabelsAction.setShortcut('Ctrl+Alt+C')
clearLabelsAction.setStatusTip('Clear labels')
clearLabelsAction.triggered.connect(self.clearLabels)
viewMenu.addAction(clearLabelsAction)
clearUpdateViewAction = QAction('&Clear selection and labels', self)
clearUpdateViewAction.setShortcut('Ctrl+Shift+C')
clearUpdateViewAction.setStatusTip('Clear highlighted atoms and labels')
clearUpdateViewAction.triggered.connect(self.clearUpdateView)
viewMenu.addAction(clearUpdateViewAction)
self.showGaussAction = QAction('Show &Gaussian geometry optimization', self)
self.showGaussAction.setShortcut('Ctrl+G')
self.showGaussAction.setStatusTip('Show Gaussian geometry optimization plots for energy, force and displacement.')
self.showGaussAction.setEnabled(False)
self.showGaussAction.triggered.connect(self.showGauss)
viewMenu.addAction(self.showGaussAction)
self.showFreqAction = QAction('Show &IR frequency plot', self)
self.showFreqAction.setShortcut('Ctrl+I')
self.showFreqAction.setStatusTip('Show Gaussian calculated IR frequency plot.')
self.showFreqAction.setEnabled(False)
self.showFreqAction.triggered.connect(self.showFreq)
viewMenu.addAction(self.showFreqAction)
measureDistanceAction = QAction('&Measure &distance', self)
measureDistanceAction.setShortcut('Ctrl+D')
measureDistanceAction.setStatusTip('Measure distance between two atoms')
measureDistanceAction.triggered.connect(self.measureDistanceB)
measureMenu.addAction(measureDistanceAction)
measureAngleAction = QAction('&Measure &angle', self)
measureAngleAction.setShortcut('Ctrl+Shift+D')
measureAngleAction.setStatusTip('Measure angle between three atoms')
measureAngleAction.triggered.connect(self.measureAngleB)
measureMenu.addAction(measureAngleAction)
aboutAction = QAction('&About', self)
aboutAction.setStatusTip('About this program...')
aboutAction.triggered.connect(self.about)
helpMenu.addAction(aboutAction)
aboutQtAction = QAction('&About Qt', self)
aboutQtAction.setStatusTip('About Qt...')
aboutQtAction.triggered.connect(self.aboutQt)
helpMenu.addAction(aboutQtAction)
# define GL widget that displays the 3D molecule model
self.window = widgets.MyGLView()
self.window.installEventFilter(self)
self.window.setMinimumSize(500, 500)
#self.window.setBackgroundColor((50, 0, 10))
self.updateView()
self.gaussianPlot = GraphicsLayoutWidget()
self.gaussianPlot.resize(750, 250)
self.gaussianPlot.setWindowTitle('Gaussian geometry optimization')
#self.gaussianPlot.setAspectLocked(True)
#self.gaussianPlot.addLayout(rowspan=3, colspan=1)
self.FreqModel = QStandardItemModel(1, 3, self)
self.freqTable = QTableView(self)
self.freqTable.setModel(self.FreqModel)
self.freqTable.setMinimumWidth(240)
self.freqTable.installEventFilter(self)
self.FreqModel.installEventFilter(self)
self.FreqModel.setHorizontalHeaderLabels(['Frequency','IR Intensity','Raman Intensity'])
for j, width in enumerate([80, 80, 80]):
self.freqTable.setColumnWidth(j, width)
self.freqWidget = QWidget()
self.freqWidget.setWindowTitle('IR frequency plot & table')
self.freqWidget.resize(800, 400)
self.freqWidget.layout = QHBoxLayout(self.freqWidget)
self.freqWidget.layout.setSpacing(1)
self.freqWidget.layout.setContentsMargins(1, 1, 1, 1)
self.freqPlot = GraphicsLayoutWidget()
self.freqWidget.layout.addWidget(self.freqPlot)
self.freqWidget.layout.addWidget(self.freqTable)
self.freqTable.clicked.connect(self.freqCellClicked)
# define other application parts
self.statusBar = QStatusBar(self)
self.fileDialog = QFileDialog(self)
# define application layout
self.layout = QVBoxLayout(self)
self.layout.setSpacing(1)
self.layout.setContentsMargins(1, 1, 1, 1)
self.layout1 = QHBoxLayout()
self.layout1.setSpacing(1)
self.layout1.addWidget(self.ZMatTable)
self.layout1.addWidget(self.window)
self.layout.addWidget(self.menuBar)
self.layout.addLayout(self.layout1)
self.layout.addWidget(self.statusBar)
self.adjustSize()
self.setWindowTitle('Moldy')
iconPath = 'icon.png'
icon = QIcon(iconPath)
icon.addFile(iconPath, QSize(16, 16))
icon.addFile(iconPath, QSize(24, 24))
icon.addFile(iconPath, QSize(32, 32))
icon.addFile(iconPath, QSize(48, 48))
icon.addFile(iconPath, QSize(256, 256))
self.setWindowIcon(icon)
# start monitoring changes in the ZMatModel
self.ZMatModel.dataChanged.connect(self.clearUpdateView)
class DeviceTable(QtGui.QDialog):
def __init__(self, parent=None):
super(DeviceTable, self).__init__(parent)
self.logger = logging.getLogger('console')
self.records = {}
self.resize(800,800)
self.label_a = QLabel()
self.label_a.setText("A: ")
self.spinbox_a = QSpinBox()
self.spinbox_a.setRange(-103,-38)
self.spinbox_a.setValue(-41)
self.spinbox_a.valueChanged.connect(self.spinboxChanged)
self.spinboxChanged(self.spinbox_a.value())
self.slider_label = QLabel()
self.slider_label.setText(" n:")
self.slider = QSlider()
self.slider.setOrientation(QtCore.Qt.Horizontal)
self.slider.setRange(0, 40)
self.slider.setValue(22)
self.slider.setTickInterval(1)
self.slider.valueChanged.connect(self.sliderChanged)
self.sliderChanged(self.slider.value())
self.button_reset = QPushButton()
self.button_reset.setText("Reset")
self.button_reset.clicked.connect(self.reset)
self.horizontalLayout = QtGui.QHBoxLayout()
self.horizontalLayout.addWidget(self.label_a)
self.horizontalLayout.addWidget(self.spinbox_a)
self.horizontalLayout.addWidget(self.slider_label)
self.horizontalLayout.addWidget(self.slider)
self.horizontalLayout.addWidget(self.button_reset)
self.table = QTableWidget()
self.table.setColumnCount(8)
self.table.setHorizontalHeaderLabels(['MAC','Count','RSSI','RSSI','Distance','RSSI_F', 'DIST_F','Battery'])
# matplotlib stuff
self.figure = plt.figure()
self.canvas = FigureCanvas(self.figure)
self.toolbar = NavigationToolbar(self.canvas, self)
self.buttonPlot = QPushButton('Plot')
self.buttonPlot.clicked.connect(self.plot)
self.plot_layout = QtGui.QVBoxLayout()
self.plot_layout.addWidget(self.toolbar)
self.plot_layout.addWidget(self.canvas)
self.plot_layout.addWidget(self.buttonPlot)
self.ax = self.figure.add_subplot(111)
self.ax.hold(False)
self.statusbar = QStatusBar()
self.statusbar.showMessage('Opening log file')
self.verticalLayout = QtGui.QVBoxLayout()
self.verticalLayout.addWidget(self.table)
self.verticalLayout.addLayout(self.plot_layout)
self.verticalLayout.addWidget(self.statusbar)
self.mainLayout = QtGui.QVBoxLayout(self)
self.mainLayout.addLayout(self.horizontalLayout)
self.mainLayout.addLayout(self.verticalLayout)
self.is_recording = False
self.data = [-50]
self.data_f = [-50]
self.data_y = [0]
def showEvent(self, *args, **kwargs):
self.parent().ble_ascii_received.connect(self.bleAsciiReceived)
return QtGui.QDialog.showEvent(self, *args, **kwargs)
def closeEvent(self, *args, **kwargs):
self.reset()
self.parent().ble_ascii_received.disconnect(self.bleAsciiReceived)
return QtGui.QDialog.closeEvent(self, *args, **kwargs)
def spinboxChanged(self, value):
self.distance_A = value;
def sliderChanged(self, value):
self.distance_n = value / 10.0;
self.slider_label.setText("n [{0:.1f}]: ".format(self.distance_n))
def reset(self):
self.table.setRowCount(0)
self.records = {}
try:
self.file.close()
except Exception:
pass
self.file = None
self.is_recording = False
def plot(self):
data = [random.random() for i in range(10)]
self.ax = self.figure.add_subplot(111)
self.ax.hold(False)
self.ax.plot(data, '*-')
self.canvas.draw()
def startRecording(self):
self.filename = "./logs/" + time.strftime("%y%m%d-%H%M%S") + ".txt"
try:
if not os.path.exists("./logs"):
os.makedirs("./logs")
self.file = open(self.filename, "w")
self.statusbar.showMessage("Recording to " + self.filename)
self.is_recording = True
except Exception, e:
self.file = None
self.is_recording = True
self.logger.error(e)
self.statusbar.showMessage("NOT RECORDING - check console log for errors")