class elementSelector(QDialog, Ui_ElementSelectorDialog):
def __init__(self, win):
QDialog.__init__(self, win)
self.setupUi(self)
self.connect(self.closePTableButton, SIGNAL("clicked()"), self.close)
self.connect(self.TransmuteButton, SIGNAL("clicked()"),
self.transmutePressed)
self.connect(self.elementButtonGroup, SIGNAL("clicked(int)"),
self.setElementInfo)
self.w = win
self.elemTable = PeriodicTable
self.displayMode = diTUBES
self.elemGLPane = ElementView(self.elementFrame, "element glPane",
self.w.glpane)
# Put the GL widget inside the frame
flayout = QVBoxLayout(self.elementFrame, 1, 1, 'flayout')
flayout.addWidget(self.elemGLPane, 1)
self.elementFrame.setWhatsThis("""3D view of current atom type""")
self.TransmuteButton.setWhatsThis(
"""Transmutes selected atoms in the 3D workspace to current atom
above.""")
self.transmuteCheckBox.setWhatsThis(
"""Check if transmuted atoms should keep all existing bonds, even
if chemistry is wrong.""")
def setElementInfo(self, value):
"""
Called as a slot from button push of the element Button Group
"""
self.w.setElement(value)
def update_dialog(self, elemNum):
"""
Update non user interactive controls display for current
selected element: element label info and element graphics info
"""
self.color = self.elemTable.getElemColor(elemNum)
elm = self.elemTable.getElement(elemNum)
self.elemGLPane.resetView()
self.elemGLPane.refreshDisplay(elm, self.displayMode)
def transmutePressed(self):
force = self.transmuteCheckBox.isChecked()
self.w.assy.modifyTransmute(self.w.Element, force=force)
def __init__(self, win):
QDialog.__init__(self, win)
self.setupUi(self)
self.connect(self.closePTableButton,SIGNAL("clicked()"),self.close)
self.connect(self.TransmuteButton,SIGNAL("clicked()"),self.transmutePressed)
self.connect(self.elementButtonGroup,SIGNAL("clicked(int)"),self.setElementInfo)
self.w = win
self.elemTable = PeriodicTable
self.displayMode = diTUBES
self.elemGLPane = ElementView(self.elementFrame, "element glPane", self.w.glpane)
# Put the GL widget inside the frame
flayout = QVBoxLayout(self.elementFrame,1,1,'flayout')
flayout.addWidget(self.elemGLPane,1)
self.elementFrame.setWhatsThis("""3D view of current atom type""")
self.TransmuteButton.setWhatsThis("""Transmutes selected atoms in the 3D workspace to current atom
above.""")
self.transmuteCheckBox.setWhatsThis("""Check if transmuted atoms should keep all existing bonds, even
if chemistry is wrong.""")
class elementSelector(QDialog, Ui_ElementSelectorDialog):
def __init__(self, win):
QDialog.__init__(self, win)
self.setupUi(self)
self.connect(self.closePTableButton,SIGNAL("clicked()"),self.close)
self.connect(self.TransmuteButton,SIGNAL("clicked()"),self.transmutePressed)
self.connect(self.elementButtonGroup,SIGNAL("clicked(int)"),self.setElementInfo)
self.w = win
self.elemTable = PeriodicTable
self.displayMode = diTUBES
self.elemGLPane = ElementView(self.elementFrame, "element glPane", self.w.glpane)
# Put the GL widget inside the frame
flayout = QVBoxLayout(self.elementFrame,1,1,'flayout')
flayout.addWidget(self.elemGLPane,1)
self.elementFrame.setWhatsThis("""3D view of current atom type""")
self.TransmuteButton.setWhatsThis("""Transmutes selected atoms in the 3D workspace to current atom
above.""")
self.transmuteCheckBox.setWhatsThis("""Check if transmuted atoms should keep all existing bonds, even
if chemistry is wrong.""")
def setElementInfo(self,value):
"""
Called as a slot from button push of the element Button Group
"""
self.w.setElement(value)
def update_dialog(self, elemNum):
"""
Update non user interactive controls display for current
selected element: element label info and element graphics info
"""
self.color = self.elemTable.getElemColor(elemNum)
elm = self.elemTable.getElement(elemNum)
self.elemGLPane.resetView()
self.elemGLPane.refreshDisplay(elm, self.displayMode)
def transmutePressed(self):
force = self.transmuteCheckBox.isChecked()
self.w.assy.modifyTransmute(self.w.Element, force = force)
def __init__(self, win):
QDialog.__init__(self, win)
self.setupUi(self)
self.connect(self.closePTableButton,SIGNAL("clicked()"),self.close)
self.connect(self.TransmuteButton,SIGNAL("clicked()"),self.transmutePressed)
self.connect(self.elementButtonGroup,SIGNAL("clicked(int)"),self.setElementInfo)
self.w = win
self.elemTable = PeriodicTable
self.displayMode = diTUBES
self.elemGLPane = ElementView(self.elementFrame, "element glPane", self.w.glpane)
# Put the GL widget inside the frame
flayout = QVBoxLayout(self.elementFrame,1,1,'flayout')
flayout.addWidget(self.elemGLPane,1)
self.elementFrame.setWhatsThis("""3D view of current atom type""")
self.TransmuteButton.setWhatsThis("""Transmutes selected atoms in the 3D workspace to current atom
above.""")
self.transmuteCheckBox.setWhatsThis("""Check if transmuted atoms should keep all existing bonds, even
if chemistry is wrong.""")
def __init__(self, win):
qt4todo('what to do with all those options?')
## ElementColorsDialog.__init__(self, win, None, 0,
## Qt.WStyle_Customize | Qt.WStyle_NormalBorder |
## Qt.WStyle_Title | Qt.WStyle_SysMenu)
QDialog.__init__(self, win)
self.setupUi(self)
self.connect(self.okButton, SIGNAL("clicked()"), self.ok)
self.connect(self.loadColorsPB, SIGNAL("clicked()"), self.read_element_rgb_table)
self.connect(self.saveColorsPB, SIGNAL("clicked()"), self.write_element_rgb_table)
self.connect(self.cancelButton, SIGNAL("clicked()"), self.reject)
self.connect(self.defaultButton, SIGNAL("clicked()"), self.loadDefaultProp)
self.connect(self.alterButton, SIGNAL("clicked()"), self.loadAlterProp)
self.connect(self.elementButtonGroup, SIGNAL("clicked(int)"), self.setElementInfo)
self.connect(self.previewPB, SIGNAL("clicked()"), self.preview_color_change)
self.connect(self.restorePB, SIGNAL("clicked()"), self.restore_current_color)
self.w = win
self.fileName = None
self.isElementModified = False
self.isFileSaved = False
self.oldTable = PeriodicTable.deepCopy()
self.elemTable = PeriodicTable
self.displayMode = self._displayList[0]
# The next line fixes a bug. Thumbview expects self.gridLayout on
# line 117 of Thumbview.py. Mark 2007-10-19.
self.gridLayout = self.gridlayout
self.elemGLPane = ElementView(self, "element glPane", self.w.glpane)
# Put the GL widget inside the frame
flayout = QVBoxLayout(self.elementFrame)
flayout.setMargin(1)
flayout.setSpacing(1)
flayout.addWidget(self.elemGLPane, 1)
def elementId(symbol):
return PeriodicTable.getElement(symbol).eltnum
self.toolButton6.setChecked(True)
self.elementButtonGroup.setId(self.toolButton6, elementId("C"))
self.elementButtonGroup.setId(self.toolButton8, elementId("O"))
self.elementButtonGroup.setId(self.toolButton10, elementId("Ne"))
self.elementButtonGroup.setId(self.toolButton9, elementId("F"))
self.elementButtonGroup.setId(self.toolButton13, elementId("Al"))
self.elementButtonGroup.setId(self.toolButton17, elementId("Cl"))
self.elementButtonGroup.setId(self.toolButton5, elementId("B"))
self.elementButtonGroup.setId(self.toolButton10_2, elementId("Ar"))
self.elementButtonGroup.setId(self.toolButton15, elementId("P"))
self.elementButtonGroup.setId(self.toolButton16, elementId("S"))
self.elementButtonGroup.setId(self.toolButton14, elementId("Si"))
self.elementButtonGroup.setId(self.toolButton33, elementId("As"))
self.elementButtonGroup.setId(self.toolButton34, elementId("Se"))
self.elementButtonGroup.setId(self.toolButton35, elementId("Br"))
self.elementButtonGroup.setId(self.toolButton36, elementId("Kr"))
self.elementButtonGroup.setId(self.toolButton32, elementId("Ge"))
self.elementButtonGroup.setId(self.toolButton7, elementId("N"))
self.elementButtonGroup.setId(self.toolButton2, elementId("He"))
self.elementButtonGroup.setId(self.toolButton1, elementId("H"))
self.elementButtonGroup.setId(self.toolButton0, elementId("X"))
self.connect(self.toolButton6, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton8, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton10, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton9, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton13, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton17, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton5, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton10_2, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton15, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton16, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton14, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton33, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton34, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton35, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton36, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton32, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton7, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton2, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton1, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton0, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connectChangingControls()
self.saveColorsPB.setWhatsThis(
"""Save the current color settings for elements in a text file.""")
self.defaultButton.setWhatsThis(
"""Restore current element colors to the default colors.""")
self.loadColorsPB.setWhatsThis(
"""Load element colors from an external text file.""")
self.alterButton.setWhatsThis(
"""Set element colors to the alternate color set.""")
class elementColors(QDialog, Ui_ElementColorsDialog):
_displayList = (diTUBES, diBALL, diTrueCPK)
def __init__(self, win):
qt4todo('what to do with all those options?')
## ElementColorsDialog.__init__(self, win, None, 0,
## Qt.WStyle_Customize | Qt.WStyle_NormalBorder |
## Qt.WStyle_Title | Qt.WStyle_SysMenu)
QDialog.__init__(self, win)
self.setupUi(self)
self.connect(self.okButton, SIGNAL("clicked()"), self.ok)
self.connect(self.loadColorsPB, SIGNAL("clicked()"), self.read_element_rgb_table)
self.connect(self.saveColorsPB, SIGNAL("clicked()"), self.write_element_rgb_table)
self.connect(self.cancelButton, SIGNAL("clicked()"), self.reject)
self.connect(self.defaultButton, SIGNAL("clicked()"), self.loadDefaultProp)
self.connect(self.alterButton, SIGNAL("clicked()"), self.loadAlterProp)
self.connect(self.elementButtonGroup, SIGNAL("clicked(int)"), self.setElementInfo)
self.connect(self.previewPB, SIGNAL("clicked()"), self.preview_color_change)
self.connect(self.restorePB, SIGNAL("clicked()"), self.restore_current_color)
self.w = win
self.fileName = None
self.isElementModified = False
self.isFileSaved = False
self.oldTable = PeriodicTable.deepCopy()
self.elemTable = PeriodicTable
self.displayMode = self._displayList[0]
# The next line fixes a bug. Thumbview expects self.gridLayout on
# line 117 of Thumbview.py. Mark 2007-10-19.
self.gridLayout = self.gridlayout
self.elemGLPane = ElementView(self, "element glPane", self.w.glpane)
# Put the GL widget inside the frame
flayout = QVBoxLayout(self.elementFrame)
flayout.setMargin(1)
flayout.setSpacing(1)
flayout.addWidget(self.elemGLPane, 1)
def elementId(symbol):
return PeriodicTable.getElement(symbol).eltnum
self.toolButton6.setChecked(True)
self.elementButtonGroup.setId(self.toolButton6, elementId("C"))
self.elementButtonGroup.setId(self.toolButton8, elementId("O"))
self.elementButtonGroup.setId(self.toolButton10, elementId("Ne"))
self.elementButtonGroup.setId(self.toolButton9, elementId("F"))
self.elementButtonGroup.setId(self.toolButton13, elementId("Al"))
self.elementButtonGroup.setId(self.toolButton17, elementId("Cl"))
self.elementButtonGroup.setId(self.toolButton5, elementId("B"))
self.elementButtonGroup.setId(self.toolButton10_2, elementId("Ar"))
self.elementButtonGroup.setId(self.toolButton15, elementId("P"))
self.elementButtonGroup.setId(self.toolButton16, elementId("S"))
self.elementButtonGroup.setId(self.toolButton14, elementId("Si"))
self.elementButtonGroup.setId(self.toolButton33, elementId("As"))
self.elementButtonGroup.setId(self.toolButton34, elementId("Se"))
self.elementButtonGroup.setId(self.toolButton35, elementId("Br"))
self.elementButtonGroup.setId(self.toolButton36, elementId("Kr"))
self.elementButtonGroup.setId(self.toolButton32, elementId("Ge"))
self.elementButtonGroup.setId(self.toolButton7, elementId("N"))
self.elementButtonGroup.setId(self.toolButton2, elementId("He"))
self.elementButtonGroup.setId(self.toolButton1, elementId("H"))
self.elementButtonGroup.setId(self.toolButton0, elementId("X"))
self.connect(self.toolButton6, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton8, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton10, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton9, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton13, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton17, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton5, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton10_2, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton15, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton16, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton14, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton33, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton34, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton35, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton36, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton32, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton7, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton2, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton1, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connect(self.toolButton0, SIGNAL("clicked()"), self.updateElemColorDisplay)
self.connectChangingControls()
self.saveColorsPB.setWhatsThis(
"""Save the current color settings for elements in a text file.""")
self.defaultButton.setWhatsThis(
"""Restore current element colors to the default colors.""")
self.loadColorsPB.setWhatsThis(
"""Load element colors from an external text file.""")
self.alterButton.setWhatsThis(
"""Set element colors to the alternate color set.""")
def closeEvent(self, e):
"""
When user closes dialog by clicking the 'X' button on the dialog title bar, this method
is called
"""
self.ok()
def connectChangingControls(self):
self.connect(self.redSlider, SIGNAL("valueChanged(int)"), self.changeSpinRed)
self.connect(self.redSpinBox, SIGNAL("valueChanged(int)"), self.changeSliderRed)
self.connect(self.blueSlider, SIGNAL("valueChanged(int)"), self.changeSpinBlue)
self.connect(self.blueSpinBox, SIGNAL("valueChanged(int)"), self.changeSliderBlue)
self.connect(self.greenSlider, SIGNAL("valueChanged(int)"), self.changeSpinGreen)
self.connect(self.greenSpinBox, SIGNAL("valueChanged(int)"), self.changeSliderGreen)
def loadDefaultProp(self):
"""
Load default set of color/rvdw for the current periodic table
"""
self.elemTable.loadDefaults()
self._updateModelDisplay()
elemNum = self.elementButtonGroup.checkedId()
self.setDisplay(elemNum)
self.isElementModified = True
def loadAlterProp(self):
"""
Load alternate set of color/rvdw for the current periodic table
"""
self.elemTable.loadAlternates()
self._updateModelDisplay()
elemNum = self.elementButtonGroup.checkedId()
self.setDisplay(elemNum)
self.isElementModified = True
def changeDisplayMode(self, value):
"""
Called when any of the display mode radioButton clicked. Obsolete.
"""
assert value in [0, 1, 2]
newMode = self._displayList[value]
if newMode != self.displayMode:
self.displayMode = newMode
elemNum = self.elementButtonGroup.checkedId()
elm = self.elemTable.getElement(elemNum)
self.elemGLPane.refreshDisplay(elm, self.displayMode)
def setElementInfo(self, value):
"""
Called as a slot from an element button push.
"""
self.setDisplay(value)
def setDisplay(self, value):
qt4todo('self.elementButtonGroup.setButton(value)')
self.updateElemGraphDisplay()
self.original_color = self.color
element_color = RGBf_to_QColor(self.color)
self.update_sliders_and_spinboxes(element_color)
self.restorePB.setEnabled(0) # Disable Restore button.
def update_sliders_and_spinboxes(self, color):
self.redSlider.setValue(color.red())
self.greenSlider.setValue(color.green())
self.blueSlider.setValue(color.blue())
self.redSpinBox.setValue(color.red())
self.greenSpinBox.setValue(color.green())
self.blueSpinBox.setValue(color.blue())
def updateElemGraphDisplay(self):
"""
Update non user interactive controls display for current selected element:
element label info and element graphics info
"""
elemNum = self.elementButtonGroup.checkedId()
self.color = self.elemTable.getElemColor(elemNum)
elm = self.elemTable.getElement(elemNum)
self.elemGLPane.resetView()
self.elemGLPane.refreshDisplay(elm, self.displayMode)
def updateElemColorDisplay(self):
"""
Update GL display for user's color change.
"""
elemNum = self.elementButtonGroup.checkedId()
self.color = self.elemTable.getElemColor(elemNum)
elm = self.elemTable.getElement(elemNum)
self.elemGLPane.updateColorDisplay(elm, self.displayMode)
self.restorePB.setEnabled(1) # Enable Restore button.
def read_element_rgb_table(self):
"""
Open file browser to select a file to read from, read the data,
update elements color in the selector dialog and also the display models
"""
# Determine what directory to open.
import os
if self.w.assy.filename:
odir = os.path.dirname(self.w.assy.filename)
else:
from utilities.prefs_constants import workingDirectory_prefs_key
odir = env.prefs[workingDirectory_prefs_key]
self.fileName = str( QFileDialog.getOpenFileName(
self,
"Load Element Color",
odir,
"Elements color file (*.txt);;All Files (*.*);;"
))
if self.fileName:
colorTable = readElementColors(self.fileName)
if not colorTable:
msg = "Error in element colors file: [" + self.fileName + "]. Colors not loaded."
env.history.message(redmsg(msg))
else:
msg = "Element colors loaded from file: [" + self.fileName + "]."
env.history.message(msg)
for row in colorTable:
row[1] /= 255.0
row[2] /= 255.0
row[3] /= 255.0
self.elemTable.setElemColors(colorTable)
self._updateModelDisplay()
elemNum = self.elementButtonGroup.checkedId()
self.setDisplay(elemNum)
#After loading a file, reset the flag
self.isElementModified = False
def write_element_rgb_table(self):
"""
Save the current set of element preferences into an external file --
currently only r,g,b color of each element will be saved.
"""
if not self.fileName:
from utilities.prefs_constants import workingDirectory_prefs_key
sdir = env.prefs[workingDirectory_prefs_key]
else:
sdir = self.fileName
fn = QFileDialog.getSaveFileName(
self,
"Save Element Colors As ...",
sdir,
"Element Color File (*.txt)"
)
if fn:
fn = str(fn)
if fn[-4] != '.':
fn += '.txt'
import os
if os.path.exists(fn): # ...and if the "Save As" file exists...
# ... confirm overwrite of the existing file.
ret = QMessageBox.warning( self, "Save Element Colors...",
"The file \"" + fn + "\" already exists.\n"
"Do you want to overwrite the existing file or cancel?",
"&Overwrite", "&Cancel", "",
0, # Enter == button 0
1 ) # Escape == button 1
if ret == 1: # The user cancelled
return
# write the current set of element colors into a file
saveElementColors(fn, self.elemTable.getAllElements())
env.history.message("Element colors saved in file: [" + fn + "]")
#After saving a file, reset the flag
self.isFileSaved = True
def changeSpinRed(self, a0):
self.redSpinBox.blockSignals(True)
self.redSpinBox.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum, [a0/255.0, self.color[1], self.color[2]])
self.updateElemColorDisplay()
self.isElementModified = True
self.redSpinBox.blockSignals(False)
def changeSliderRed(self, a0):
self.redSlider.blockSignals(True)
self.redSlider.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum, [a0/255.0, self.color[1], self.color[2]])
self.updateElemColorDisplay()
self.isElementModified = True
self.redSlider.blockSignals(False)
def changeSpinBlue(self, a0):
self.blueSpinBox.blockSignals(True)
self.blueSpinBox.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum, [self.color[0], self.color[1], a0/255.0])
self.updateElemColorDisplay()
self.isElementModified = True
self.blueSpinBox.blockSignals(False)
def changeSliderBlue(self, a0):
self.blueSlider.blockSignals(True)
self.blueSlider.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum, [self.color[0], self.color[1], a0/255.0])
self.updateElemColorDisplay()
self.isElementModified = True
self.blueSlider.blockSignals(False)
def changeSpinGreen(self, a0):
self.greenSpinBox.blockSignals(True)
self.greenSpinBox.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum, [self.color[0], a0/255.0, self.color[2]])
self.updateElemColorDisplay()
self.isElementModified = True
self.greenSpinBox.blockSignals(False)
def changeSliderGreen(self, a0):
self.greenSlider.blockSignals(True)
self.greenSlider.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum, [self.color[0], a0/255.0, self.color[2]])
self.updateElemColorDisplay()
self.isElementModified = True
self.greenSlider.blockSignals(False)
def preview_color_change(self): # mark 060129.
"""
Slot for Preview button. Applies color changes for the current element in the GLPane,
allowing the user to preview the color changes in the model before saving.
"""
self._updateModelDisplay()
def restore_current_color(self): # mark 060129.
"""
Slot for the Restore button. Restores the current element color to the
original (previous) color before any color change was made.
"""
self.update_sliders_and_spinboxes(RGBf_to_QColor(self.original_color))
self._updateModelDisplay()
def ok(self):
## if self.isElementModified and not self.isFileSaved:
## ret = QMessageBox.question(self, "Warnings",
## "Do you want to save the element colors into a file?",
## QMessageBox.Yes, QMessageBox.No )
## if ret == QMessageBox.Yes:
## self.write_element_rgb_table()
#Save the color preference
self.elemTable.close()
self._updateModelDisplay() #bruce 090119 bugfix
self.accept()
def reject(self):
"""
If elements modified or external file loaded, restore
current pref to original since our dialog is reused
"""
if self.isElementModified or self.fileName:
self.elemTable.resetElemTable(self.oldTable)
self._updateModelDisplay()
QDialog.reject(self)
def _updateModelDisplay(self):
"""
Update model display
"""
#bruce 090119 removed changeapp calls, not needed for a long time
# (due to PeriodicTable.color_change_counter);
# then replaced other calls of gl_update with calls of this method
self.w.glpane.gl_update()
def __init__(self, win):
qt4todo('what to do with all those options?')
## ElementColorsDialog.__init__(self, win, None, 0,
## Qt.WStyle_Customize | Qt.WStyle_NormalBorder |
## Qt.WStyle_Title | Qt.WStyle_SysMenu)
QDialog.__init__(self, win)
self.setupUi(self)
self.connect(self.okButton, SIGNAL("clicked()"), self.ok)
self.connect(self.loadColorsPB, SIGNAL("clicked()"),
self.read_element_rgb_table)
self.connect(self.saveColorsPB, SIGNAL("clicked()"),
self.write_element_rgb_table)
self.connect(self.cancelButton, SIGNAL("clicked()"), self.reject)
self.connect(self.defaultButton, SIGNAL("clicked()"),
self.loadDefaultProp)
self.connect(self.alterButton, SIGNAL("clicked()"), self.loadAlterProp)
self.connect(self.elementButtonGroup, SIGNAL("clicked(int)"),
self.setElementInfo)
self.connect(self.previewPB, SIGNAL("clicked()"),
self.preview_color_change)
self.connect(self.restorePB, SIGNAL("clicked()"),
self.restore_current_color)
self.w = win
self.fileName = None
self.isElementModified = False
self.isFileSaved = False
self.oldTable = PeriodicTable.deepCopy()
self.elemTable = PeriodicTable
self.displayMode = self._displayList[0]
# The next line fixes a bug. Thumbview expects self.gridLayout on
# line 117 of Thumbview.py. Mark 2007-10-19.
self.gridLayout = self.gridlayout
self.elemGLPane = ElementView(self, "element glPane", self.w.glpane)
# Put the GL widget inside the frame
flayout = QVBoxLayout(self.elementFrame)
flayout.setMargin(1)
flayout.setSpacing(1)
flayout.addWidget(self.elemGLPane, 1)
def elementId(symbol):
return PeriodicTable.getElement(symbol).eltnum
self.toolButton6.setChecked(True)
self.elementButtonGroup.setId(self.toolButton6, elementId("C"))
self.elementButtonGroup.setId(self.toolButton8, elementId("O"))
self.elementButtonGroup.setId(self.toolButton10, elementId("Ne"))
self.elementButtonGroup.setId(self.toolButton9, elementId("F"))
self.elementButtonGroup.setId(self.toolButton13, elementId("Al"))
self.elementButtonGroup.setId(self.toolButton17, elementId("Cl"))
self.elementButtonGroup.setId(self.toolButton5, elementId("B"))
self.elementButtonGroup.setId(self.toolButton10_2, elementId("Ar"))
self.elementButtonGroup.setId(self.toolButton15, elementId("P"))
self.elementButtonGroup.setId(self.toolButton16, elementId("S"))
self.elementButtonGroup.setId(self.toolButton14, elementId("Si"))
self.elementButtonGroup.setId(self.toolButton33, elementId("As"))
self.elementButtonGroup.setId(self.toolButton34, elementId("Se"))
self.elementButtonGroup.setId(self.toolButton35, elementId("Br"))
self.elementButtonGroup.setId(self.toolButton36, elementId("Kr"))
self.elementButtonGroup.setId(self.toolButton32, elementId("Ge"))
self.elementButtonGroup.setId(self.toolButton7, elementId("N"))
self.elementButtonGroup.setId(self.toolButton2, elementId("He"))
self.elementButtonGroup.setId(self.toolButton1, elementId("H"))
self.elementButtonGroup.setId(self.toolButton0, elementId("X"))
self.connect(self.toolButton6, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton8, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton10, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton9, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton13, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton17, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton5, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton10_2, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton15, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton16, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton14, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton33, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton34, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton35, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton36, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton32, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton7, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton2, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton1, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton0, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connectChangingControls()
self.saveColorsPB.setWhatsThis(
"""Save the current color settings for elements in a text file.""")
self.defaultButton.setWhatsThis(
"""Restore current element colors to the default colors.""")
self.loadColorsPB.setWhatsThis(
"""Load element colors from an external text file.""")
self.alterButton.setWhatsThis(
"""Set element colors to the alternate color set.""")
class elementColors(QDialog, Ui_ElementColorsDialog):
_displayList = (diTUBES, diBALL, diTrueCPK)
def __init__(self, win):
qt4todo('what to do with all those options?')
## ElementColorsDialog.__init__(self, win, None, 0,
## Qt.WStyle_Customize | Qt.WStyle_NormalBorder |
## Qt.WStyle_Title | Qt.WStyle_SysMenu)
QDialog.__init__(self, win)
self.setupUi(self)
self.connect(self.okButton, SIGNAL("clicked()"), self.ok)
self.connect(self.loadColorsPB, SIGNAL("clicked()"),
self.read_element_rgb_table)
self.connect(self.saveColorsPB, SIGNAL("clicked()"),
self.write_element_rgb_table)
self.connect(self.cancelButton, SIGNAL("clicked()"), self.reject)
self.connect(self.defaultButton, SIGNAL("clicked()"),
self.loadDefaultProp)
self.connect(self.alterButton, SIGNAL("clicked()"), self.loadAlterProp)
self.connect(self.elementButtonGroup, SIGNAL("clicked(int)"),
self.setElementInfo)
self.connect(self.previewPB, SIGNAL("clicked()"),
self.preview_color_change)
self.connect(self.restorePB, SIGNAL("clicked()"),
self.restore_current_color)
self.w = win
self.fileName = None
self.isElementModified = False
self.isFileSaved = False
self.oldTable = PeriodicTable.deepCopy()
self.elemTable = PeriodicTable
self.displayMode = self._displayList[0]
# The next line fixes a bug. Thumbview expects self.gridLayout on
# line 117 of Thumbview.py. Mark 2007-10-19.
self.gridLayout = self.gridlayout
self.elemGLPane = ElementView(self, "element glPane", self.w.glpane)
# Put the GL widget inside the frame
flayout = QVBoxLayout(self.elementFrame)
flayout.setMargin(1)
flayout.setSpacing(1)
flayout.addWidget(self.elemGLPane, 1)
def elementId(symbol):
return PeriodicTable.getElement(symbol).eltnum
self.toolButton6.setChecked(True)
self.elementButtonGroup.setId(self.toolButton6, elementId("C"))
self.elementButtonGroup.setId(self.toolButton8, elementId("O"))
self.elementButtonGroup.setId(self.toolButton10, elementId("Ne"))
self.elementButtonGroup.setId(self.toolButton9, elementId("F"))
self.elementButtonGroup.setId(self.toolButton13, elementId("Al"))
self.elementButtonGroup.setId(self.toolButton17, elementId("Cl"))
self.elementButtonGroup.setId(self.toolButton5, elementId("B"))
self.elementButtonGroup.setId(self.toolButton10_2, elementId("Ar"))
self.elementButtonGroup.setId(self.toolButton15, elementId("P"))
self.elementButtonGroup.setId(self.toolButton16, elementId("S"))
self.elementButtonGroup.setId(self.toolButton14, elementId("Si"))
self.elementButtonGroup.setId(self.toolButton33, elementId("As"))
self.elementButtonGroup.setId(self.toolButton34, elementId("Se"))
self.elementButtonGroup.setId(self.toolButton35, elementId("Br"))
self.elementButtonGroup.setId(self.toolButton36, elementId("Kr"))
self.elementButtonGroup.setId(self.toolButton32, elementId("Ge"))
self.elementButtonGroup.setId(self.toolButton7, elementId("N"))
self.elementButtonGroup.setId(self.toolButton2, elementId("He"))
self.elementButtonGroup.setId(self.toolButton1, elementId("H"))
self.elementButtonGroup.setId(self.toolButton0, elementId("X"))
self.connect(self.toolButton6, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton8, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton10, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton9, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton13, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton17, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton5, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton10_2, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton15, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton16, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton14, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton33, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton34, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton35, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton36, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton32, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton7, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton2, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton1, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connect(self.toolButton0, SIGNAL("clicked()"),
self.updateElemColorDisplay)
self.connectChangingControls()
self.saveColorsPB.setWhatsThis(
"""Save the current color settings for elements in a text file.""")
self.defaultButton.setWhatsThis(
"""Restore current element colors to the default colors.""")
self.loadColorsPB.setWhatsThis(
"""Load element colors from an external text file.""")
self.alterButton.setWhatsThis(
"""Set element colors to the alternate color set.""")
def closeEvent(self, e):
"""
When user closes dialog by clicking the 'X' button on the dialog title bar, this method
is called
"""
self.ok()
def connectChangingControls(self):
self.connect(self.redSlider, SIGNAL("valueChanged(int)"),
self.changeSpinRed)
self.connect(self.redSpinBox, SIGNAL("valueChanged(int)"),
self.changeSliderRed)
self.connect(self.blueSlider, SIGNAL("valueChanged(int)"),
self.changeSpinBlue)
self.connect(self.blueSpinBox, SIGNAL("valueChanged(int)"),
self.changeSliderBlue)
self.connect(self.greenSlider, SIGNAL("valueChanged(int)"),
self.changeSpinGreen)
self.connect(self.greenSpinBox, SIGNAL("valueChanged(int)"),
self.changeSliderGreen)
def loadDefaultProp(self):
"""
Load default set of color/rvdw for the current periodic table
"""
self.elemTable.loadDefaults()
self._updateModelDisplay()
elemNum = self.elementButtonGroup.checkedId()
self.setDisplay(elemNum)
self.isElementModified = True
def loadAlterProp(self):
"""
Load alternate set of color/rvdw for the current periodic table
"""
self.elemTable.loadAlternates()
self._updateModelDisplay()
elemNum = self.elementButtonGroup.checkedId()
self.setDisplay(elemNum)
self.isElementModified = True
def changeDisplayMode(self, value):
"""
Called when any of the display mode radioButton clicked. Obsolete.
"""
assert value in [0, 1, 2]
newMode = self._displayList[value]
if newMode != self.displayMode:
self.displayMode = newMode
elemNum = self.elementButtonGroup.checkedId()
elm = self.elemTable.getElement(elemNum)
self.elemGLPane.refreshDisplay(elm, self.displayMode)
def setElementInfo(self, value):
"""
Called as a slot from an element button push.
"""
self.setDisplay(value)
def setDisplay(self, value):
qt4todo('self.elementButtonGroup.setButton(value)')
self.updateElemGraphDisplay()
self.original_color = self.color
element_color = RGBf_to_QColor(self.color)
self.update_sliders_and_spinboxes(element_color)
self.restorePB.setEnabled(0) # Disable Restore button.
def update_sliders_and_spinboxes(self, color):
self.redSlider.setValue(color.red())
self.greenSlider.setValue(color.green())
self.blueSlider.setValue(color.blue())
self.redSpinBox.setValue(color.red())
self.greenSpinBox.setValue(color.green())
self.blueSpinBox.setValue(color.blue())
def updateElemGraphDisplay(self):
"""
Update non user interactive controls display for current selected element:
element label info and element graphics info
"""
elemNum = self.elementButtonGroup.checkedId()
self.color = self.elemTable.getElemColor(elemNum)
elm = self.elemTable.getElement(elemNum)
self.elemGLPane.resetView()
self.elemGLPane.refreshDisplay(elm, self.displayMode)
def updateElemColorDisplay(self):
"""
Update GL display for user's color change.
"""
elemNum = self.elementButtonGroup.checkedId()
self.color = self.elemTable.getElemColor(elemNum)
elm = self.elemTable.getElement(elemNum)
self.elemGLPane.updateColorDisplay(elm, self.displayMode)
self.restorePB.setEnabled(1) # Enable Restore button.
def read_element_rgb_table(self):
"""
Open file browser to select a file to read from, read the data,
update elements color in the selector dialog and also the display models
"""
# Determine what directory to open.
import os
if self.w.assy.filename:
odir = os.path.dirname(self.w.assy.filename)
else:
from utilities.prefs_constants import workingDirectory_prefs_key
odir = env.prefs[workingDirectory_prefs_key]
self.fileName = str(
QFileDialog.getOpenFileName(
self, "Load Element Color", odir,
"Elements color file (*.txt);;All Files (*.*);;"))
if self.fileName:
colorTable = readElementColors(self.fileName)
if not colorTable:
msg = "Error in element colors file: [" + self.fileName + "]. Colors not loaded."
env.history.message(redmsg(msg))
else:
msg = "Element colors loaded from file: [" + self.fileName + "]."
env.history.message(msg)
for row in colorTable:
row[1] /= 255.0
row[2] /= 255.0
row[3] /= 255.0
self.elemTable.setElemColors(colorTable)
self._updateModelDisplay()
elemNum = self.elementButtonGroup.checkedId()
self.setDisplay(elemNum)
#After loading a file, reset the flag
self.isElementModified = False
def write_element_rgb_table(self):
"""
Save the current set of element preferences into an external file --
currently only r,g,b color of each element will be saved.
"""
if not self.fileName:
from utilities.prefs_constants import workingDirectory_prefs_key
sdir = env.prefs[workingDirectory_prefs_key]
else:
sdir = self.fileName
fn = QFileDialog.getSaveFileName(self, "Save Element Colors As ...",
sdir, "Element Color File (*.txt)")
if fn:
fn = str(fn)
if fn[-4] != '.':
fn += '.txt'
import os
if os.path.exists(fn): # ...and if the "Save As" file exists...
# ... confirm overwrite of the existing file.
ret = QMessageBox.warning(
self,
"Save Element Colors...",
"The file \"" + fn + "\" already exists.\n"
"Do you want to overwrite the existing file or cancel?",
"&Overwrite",
"&Cancel",
"",
0, # Enter == button 0
1) # Escape == button 1
if ret == 1: # The user cancelled
return
# write the current set of element colors into a file
saveElementColors(fn, self.elemTable.getAllElements())
env.history.message("Element colors saved in file: [" + fn + "]")
#After saving a file, reset the flag
self.isFileSaved = True
def changeSpinRed(self, a0):
self.redSpinBox.blockSignals(True)
self.redSpinBox.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum,
[a0 / 255.0, self.color[1], self.color[2]])
self.updateElemColorDisplay()
self.isElementModified = True
self.redSpinBox.blockSignals(False)
def changeSliderRed(self, a0):
self.redSlider.blockSignals(True)
self.redSlider.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum,
[a0 / 255.0, self.color[1], self.color[2]])
self.updateElemColorDisplay()
self.isElementModified = True
self.redSlider.blockSignals(False)
def changeSpinBlue(self, a0):
self.blueSpinBox.blockSignals(True)
self.blueSpinBox.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum,
[self.color[0], self.color[1], a0 / 255.0])
self.updateElemColorDisplay()
self.isElementModified = True
self.blueSpinBox.blockSignals(False)
def changeSliderBlue(self, a0):
self.blueSlider.blockSignals(True)
self.blueSlider.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum,
[self.color[0], self.color[1], a0 / 255.0])
self.updateElemColorDisplay()
self.isElementModified = True
self.blueSlider.blockSignals(False)
def changeSpinGreen(self, a0):
self.greenSpinBox.blockSignals(True)
self.greenSpinBox.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum,
[self.color[0], a0 / 255.0, self.color[2]])
self.updateElemColorDisplay()
self.isElementModified = True
self.greenSpinBox.blockSignals(False)
def changeSliderGreen(self, a0):
self.greenSlider.blockSignals(True)
self.greenSlider.setValue(a0)
elemNum = self.elementButtonGroup.checkedId()
self.elemTable.setElemColor(elemNum,
[self.color[0], a0 / 255.0, self.color[2]])
self.updateElemColorDisplay()
self.isElementModified = True
self.greenSlider.blockSignals(False)
def preview_color_change(self): # mark 060129.
"""
Slot for Preview button. Applies color changes for the current element in the GLPane,
allowing the user to preview the color changes in the model before saving.
"""
self._updateModelDisplay()
def restore_current_color(self): # mark 060129.
"""
Slot for the Restore button. Restores the current element color to the
original (previous) color before any color change was made.
"""
self.update_sliders_and_spinboxes(RGBf_to_QColor(self.original_color))
self._updateModelDisplay()
def ok(self):
## if self.isElementModified and not self.isFileSaved:
## ret = QMessageBox.question(self, "Warnings",
## "Do you want to save the element colors into a file?",
## QMessageBox.Yes, QMessageBox.No )
## if ret == QMessageBox.Yes:
## self.write_element_rgb_table()
#Save the color preference
self.elemTable.close()
self._updateModelDisplay() #bruce 090119 bugfix
self.accept()
def reject(self):
"""
If elements modified or external file loaded, restore
current pref to original since our dialog is reused
"""
if self.isElementModified or self.fileName:
self.elemTable.resetElemTable(self.oldTable)
self._updateModelDisplay()
QDialog.reject(self)
def _updateModelDisplay(self):
"""
Update model display
"""
#bruce 090119 removed changeapp calls, not needed for a long time
# (due to PeriodicTable.color_change_counter);
# then replaced other calls of gl_update with calls of this method
self.w.glpane.gl_update()
