class CelluloseEditor(QtGui.QDialog):
"""
Wolffia's dialogue to produce homopolymers.
"""
# Class Fields:
# ui: stores reference to user interface
# files: [string, string], PDB and PSF filenames
# homopol: Mixture, an Homopolymer
# homopolPreview: MixtureViewer
def __init__(self, appState, parent=None, settings=None):
"""
Constructor for homopolymer editor.
Parameters used:
parent : Window, widget or object that was used to call this dialogue
settings: Settings
"""
super(CelluloseEditor, self).__init__(parent, modal=1)
self.settings = settings
self.state = appState
self.files = None
self.isAdded = False
#esto hay que arreglarlo!
# Que hay que arreglar de aqui??? ~ Radames
self.history = History()
self.homopolPreview = MixtureViewer(self.history, self, None)
self.ui = Ui_CelluloseEditor()
self.ui.setupUi(self)
self.generateCellulose()
self.ui.viewerLayout.addWidget(self.homopolPreview)
self.ui.headerLabel.setText("Cellulose Crystal Editor")
#self.ui.stackedWidget.setCurrentIndex (self.poly.STACK_INDEX)
self.ui.lengthDSpinner.setSingleStep(self.poly.DISPL)
self.ui.lengthDSpinner.setMinimum(self.poly.DISPL)
self.ui.lengthSlider.setTickInterval(self.poly.DISPL)
self.ui.lengthSlider.setMinimum(self.poly.DISPL)
self.ui.nSpinBox.setValue(2)
image = os.path.dirname(
os.path.realpath(__file__)) + "/images/" + self.poly.IMAGE
self.ui.diagram.setPixmap(
QtGui.QPixmap(QtCore.QString.fromUtf8(image)).scaledToHeight(
100, 1))
if self.settings != None:
self.homopolPreview.setHighResolution(self.settings.highResolution)
self.homopolPreview.setLabeling(self.settings.showLabels)
self.homopolPreview.showAxes(self.settings.showAxes)
self.homopolPreview.showHelp(settings.showHelp)
self.ui.okButton.setText("OK")
try:
self.setStyleSheet(open(WOLFFIA_STYLESHEET, 'r').read())
except:
print("WARNING: Could not read style specifications")
self.homopolPreview.update()
def generateCellulose(self):
n = self.ui.nSpinBox.value()
self.homopol = Mixture()
from chemicalGraph.molecule.polymer.Cellulose import Cellulose
if self.ui.buttonA.isChecked():
self.poly = Cellulose(n, 'a')
else:
self.poly = Cellulose(n, 'b')
self.homopol.add(self.poly)
self.history.currentState().reset()
self.history.currentState().addMixture(self.homopol)
self.homopolPreview.update()
def getMixture(self):
return self.history.currentState().getMixture()
# Signal managers
def on_nSpinBox_valueChanged(self):
self.generateCellulose()
length = self.poly.DISPL * self.ui.nSpinBox.value()
self.ui.lengthDSpinner.setValue(length)
self.ui.lengthSlider.setValue(length)
def on_lengthDSpinner_valueChanged(self):
n = round(self.ui.lengthDSpinner.value() / self.poly.DISPL)
self.ui.nSpinBox.setValue(n)
self.ui.lengthSlider.setValue(n * self.poly.DISPL)
def on_lengthSlider_sliderReleased(self):
n = int(self.ui.lengthSlider.value() / self.poly.DISPL)
self.ui.nSpinBox.setValue(n)
#---------------------------------------------------------------------
def on_buttonB_toggled(self, checked):
self.ui.buttonA.setChecked(not checked)
self.generateCellulose()
#---------------------------------------------------------------------
def on_buttonA_toggled(self, checked):
self.ui.buttonB.setChecked(not checked)
self.generateCellulose()
#---------------------------------------------------------------------
def on_button110_toggled(self, checked):
if checked:
self.ui.button100.setChecked(not checked)
self.ui.button010.setChecked(not checked)
self.update()
#---------------------------------------------------------------------
def on_button100_toggled(self, checked):
if checked:
self.ui.button110.setChecked(not checked)
self.ui.button010.setChecked(not checked)
self.update()
#---------------------------------------------------------------------
def on_button010_toggled(self, checked):
if checked:
self.ui.button100.setChecked(not checked)
self.ui.button110.setChecked(not checked)
self.update()
def on_okButton_pressed(self):
self.generateCellulose()
self.isAdded = True
self.close()
def on_cancelButton_pressed(self):
self.history.currentState().reset()
self.close()
def closeEvent(self, e):
if not self.isAdded:
self.history.currentState().updateMixture(Mixture())
def wheelEvent(self, e):
super(HomopolyEditor, self).wheelEvent(e)
class NanotubeBuilder(QtGui.QDialog):
"""
Wolffia's dialogue box to produce nanotubes.
"""
# Class Fields:
# ui: stores reference to user interface
# files: [string, string], PDB and PSF filenames
# tubes: Mixture, a Tube
# tubePreview: MixtureViewer
def __init__(self, parent=None, settings=None):
"""
Constructor for nanotube editor.
Parameters used:
parent : Window, widget or object that was used to call this dialogue
settings: Settings
"""
super(NanotubeBuilder, self).__init__(parent, modal=1)
self.settings = settings
self.isAdded = False
self.files = None
# esto hay que arreglarlo!
self.history = History()
self.tubePreview = MixtureViewer(self.history, self, None)
self.ui = Ui_NanotubeEditor()
self.ui.setupUi(self)
self.ui.viewerLayout.addWidget(self.tubePreview)
self.generateTubes()
self.ui.nSpinBox.setMaximum(200)
self.ui.mSpinBox.setMaximum(200)
if self.settings:
self.tubePreview.setHighResolution(settings.highResolution)
self.tubePreview.setLabeling(settings.showLabels)
self.tubePreview.showAxes(settings.showAxes)
self.tubePreview.showHelp(settings.showHelp)
self.ui.OKButton.setText("OK")
try:
self.setStyleSheet(open(WOLFFIA_STYLESHEET, 'r').read())
except:
print("WARNING: Could not read style specifications")
self.tubePreview.update()
def generateTubes(self):
n = self.ui.nSpinBox.value()
m = self.ui.mSpinBox.value()
tubeLength = self.ui.tubeLengthSpinBox.value()
self.history.currentState().reset()
self.history.currentState().addMolecule(Tube(n, m, tubeLength))
self.modified = False
def getMixture(self):
return self.history.currentState().getMixture()
# Signal managers
def on_horizontalSlider_valueChanged(self, pos):
self.ui.tubeLengthSpinBox.setValue(pos / 10.)
self.modified = True
def on_tubeLengthSpinBox_valueChanged(self, val):
self.ui.horizontalSlider.setValue(int(float(val) * 10))
self.modified = True
def on_mSpinBox_valueChanged(self, val):
if self.ui.armchairButton.isChecked():
self.ui.nSpinBox.setValue(self.ui.mSpinBox.value())
self.modified = True
# Toggles between the three different types of nanotube layouts
def on_armchairButton_toggled(self, selected):
if selected:
self.ui.nSpinBox.setValue(self.ui.mSpinBox.value())
self.ui.nSpinBox.setDisabled(True)
self.modified = True
def on_chiralButton_toggled(self, selected):
if selected:
self.ui.nSpinBox.setEnabled(True)
self.modified = True
def on_zigZagButton_toggled(self, selected):
if selected:
self.ui.nSpinBox.setValue(0)
self.ui.nSpinBox.setDisabled(True)
self.modified = True
@QtCore.pyqtSlot()
def on_cancelButton_pressed(self):
self.close()
@QtCore.pyqtSlot()
def on_OKButton_pressed(self):
if self.modified: self.generateTubes()
if self.settings:
self.isAdded = True
self.close()
else:
from .NanotubeSaveDialog import NanotubeSaveDialog
ntDialog = NanotubeSaveDialog(self.getMixture(),
files=self.files,
parent=self)
ntDialog.show()
ntDialog.exec_()
self.files = ntDialog.getFileNames()
print(self.files)
@QtCore.pyqtSlot()
def on_previewButton_pressed(self):
self.generateTubes()
self.tubePreview.update()
def closeEvent(self, e):
if not self.isAdded:
self.history.currentState().updateMixture(Mixture())
class GrapheneBuilder(QtGui.QDialog):
"""
Wolffia's dialogue box to produce graphenes
"""
# Class Fields:
# ui: stores reference tu user interface
# files: [string, string], PDB and PSF filenames
# graphene: Mixture, a Graphene
# graphenePreview: MixtureViewer
def __init__(self, parent=None, settings=None):
"""
Constructor for graphene editor.
Parameters used:
parent : Window, widget or object that was used to call this dialogue
settings: Settings
"""
super(GrapheneBuilder, self).__init__(parent, modal=1)
self.ui = Ui_GrapheneEditor()
self.isAdded = False
self.settings = settings
self.history = History()
self.graphenePreview = MixtureViewer(self.history, self, None)
self.files = None
self.ui.setupUi(self)
self.ui.viewerLayout.addWidget(self.graphenePreview)
self.generateGraphene()
if self.settings:
self.graphenePreview.setHighResolution(
self.settings.highResolution)
self.graphenePreview.setLabeling(self.settings.showLabels)
self.graphenePreview.showAxes(self.settings.showAxes)
self.graphenePreview.showHelp(self.settings.showHelp)
self.ui.OKButton.setText("OK")
try:
self.setStyleSheet(open(WOLFFIA_STYLESHEET, 'r').read())
except:
print("WARNING: Could not read style specifications")
self.graphenePreview.update()
def generateGraphene(self):
n = self.ui.nSpinBox.value()
m = self.ui.mSpinBox.value()
grapheneLength = self.ui.grapheneLengthSpinBox.value()
self.history.currentState().reset()
self.history.currentState().addMolecule(Graphene(n, m, grapheneLength))
self.graphenePreview.update()
def getMixture(self):
return self.history.currentState().getMixture()
# Manages signals
def on_horizontalSlider_valueChanged(self, pos):
self.ui.grapheneLengthSpinBox.setValue(pos / 10.)
def on_grapheneLengthSpinBox_valueChanged(self, val):
self.ui.horizontalSlider.setValue(int(float(val) * 10))
@QtCore.pyqtSlot()
def on_OKButton_pressed(self):
if self.settings:
self.generateGraphene()
#self.state.addMixture(self.graphene)
self.isAdded = True
self.close()
else:
from .GrapheneSaveDialog import GrapheneSaveDialog
self.generateGraphene()
ntDialog = GrapheneSaveDialog(self.graphene,
files=self.files,
parent=self)
ntDialog.show()
ntDialog.exec_()
self.files = ntDialog.getFileNames()
print(self.files)
@QtCore.pyqtSlot()
def on_previewButton_pressed(self):
self.generateGraphene()
@QtCore.pyqtSlot()
def on_cancelButton_pressed(self):
self.close()
def closeEvent(self, e):
if not self.isAdded:
self.history.currentState().updateMixture(Mixture())
class DiamondBuilder(QtGui.QDialog):
"""
Wolffia's dialogue box to produce nanotubes.
"""
# Class Fields:
# ui: stores reference to user interface
# files: [string, string], PDB and PSF filenames
# tubes: Mixture, a Tube
# diamondPreview: MixtureViewer
def __init__(self, parent=None, settings=None):
"""
Constructor for nanotube editor.
Parameters used:
parent : Window, widget or object that was used to call this dialogue
settings: Settings
"""
super(DiamondBuilder, self).__init__(parent, modal=1)
self.settings = settings
self.isAdded = False
self.files = None
# esto hay que arreglarlo!
self.history = History()
self.diamondPreview = MixtureViewer(self.history, self, None)
self.ui = Ui_DiamondEditor()
self.ui.setupUi(self)
self.ui.viewerLayout.addWidget(self.diamondPreview)
self.generateDimond()
if self.settings:
self.diamondPreview.setHighResolution(settings.highResolution)
self.diamondPreview.setLabeling(settings.showLabels)
self.diamondPreview.showAxes(settings.showAxes)
self.diamondPreview.showHelp(settings.showHelp)
self.ui.OKButton.setText("OK")
try:
self.setStyleSheet(open(WOLFFIA_STYLESHEET, 'r').read())
except:
print("WARNING: Could not read style specifications")
def generateDimond(self):
n = self.ui.nSpinBox.value()
m = self.ui.mSpinBox.value()
q = self.ui.qSpinBox.value()
self.history.currentState().reset()
self.history.currentState().addMolecule(Diamond(n, m, q))
self.diamondPreview.update()
self.modified = False
def getMixture(self):
return self.history.currentState().getMixture()
@QtCore.pyqtSlot()
def on_cancelButton_pressed(self):
self.close()
def on_nSpinBox_valueChanged(self, val):
self.modified = True
def on_mSpinBox_valueChanged(self, val):
self.modified = True
def on_qSpinBox_valueChanged(self, val):
self.modified = True
@QtCore.pyqtSlot()
def on_OKButton_pressed(self):
if self.settings:
if self.modified: self.generateDimond()
self.isAdded = True
self.close()
else:
from NanotubeSaveDialog import NanotubeSaveDialog
self.generateTubes()
ntDialog = NanotubeSaveDialog(self.tubes,
files=self.files,
parent=self)
ntDialog.show()
ntDialog.exec_()
self.files = ntDialog.getFileNames()
print(self.files)
@QtCore.pyqtSlot()
def on_previewButton_pressed(self):
self.generateDimond()
def closeEvent(self, e):
if not self.isAdded:
self.history.currentState().updateMixture(Mixture())