def _addAtomTypesGroupBox(self, inPmGroupBox):
"""
Creates a row of atom type buttons (i.e. sp3, sp2, sp and graphitic).
@param inPmGroupBox: The parent group box to contain the atom type
buttons.
@type inPmGroupBox: PM_GroupBox
"""
self._atomTypesButtonGroup = \
PM_ToolButtonGrid( inPmGroupBox,
buttonList = self.getAtomTypesButtonList(),
label = "Atomic hybrids:",
checkedId = 0,
setAsDefault = True )
#Increase the button width for atom hybrids so that
# button texts such as sp3(p), sp2(-), sp2(-.5) fit.
# This change can be removed once we have icons
# for the buttons with long text -- Ninad 2008-09-04
self._atomTypesButtonGroup.setButtonSize(width = 44)
# Horizontal spacer to keep buttons grouped close together.
_hSpacer = QSpacerItem( 1, 32,
QSizePolicy.Expanding,
QSizePolicy.Fixed )
self._atomTypesButtonGroup.gridLayout.addItem( _hSpacer, 0, 4, 1, 1 )
self.connect( self._atomTypesButtonGroup.buttonGroup,
SIGNAL("buttonClicked(int)"),
self._setAtomType )
self._updateAtomTypesButtons()
def _addElementsGroupBox(self, inPmGroupBox):
"""
Creates a grid of tool buttons containing all elements supported
in NE1.
@param inPmGroupBox: The parent group box to contain the element
buttons.
@type inPmGroupBox: PM_GroupBox
"""
self._elementsButtonGroup = \
PM_ToolButtonGrid( inPmGroupBox,
title = "",
buttonList = self.getElementsButtonList(),
checkedId = self.element.eltnum,
setAsDefault = True
)
self.connect(self._elementsButtonGroup.buttonGroup,
SIGNAL("buttonClicked(int)"), self.setElement)
def _addAtomTypesGroupBox(self, inPmGroupBox):
"""
Creates a row of atom type buttons (i.e. sp3, sp2, sp and graphitic).
@param inPmGroupBox: The parent group box to contain the atom type
buttons.
@type inPmGroupBox: PM_GroupBox
"""
self._atomTypesButtonGroup = \
PM_ToolButtonGrid( inPmGroupBox,
buttonList = self.getAtomTypesButtonList(),
label = "Atomic hybrids:",
checkedId = 0,
setAsDefault = True )
# Horizontal spacer to keep buttons grouped close together.
_hSpacer = QSpacerItem(1, 32, QSizePolicy.Expanding, QSizePolicy.Fixed)
self._atomTypesButtonGroup.gridLayout.addItem(_hSpacer, 0, 4, 1, 1)
self.connect(self._atomTypesButtonGroup.buttonGroup,
SIGNAL("buttonClicked(int)"), self._setAtomType)
self._updateAtomTypesButtons()
def _addGroupBoxes(self):
"""
Add group boxes to the Property Manager.
"""
self.widgetSelectorGroupBox = PM_GroupBox(self, title = "PM Widget Selector" )
self._loadWidgetSelectorGroupBox(self.widgetSelectorGroupBox)
self.groupBoxes = []
pmGroupBox = PM_GroupBox(self, title = "PM_CheckBox")
self._loadPM_CheckBox(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_ComboBox")
self._loadPM_ComboBox(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_DoubleSpinBox")
self._loadPM_DoubleSpinBox(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_ElementChooser(self, title = "PM_ElementChooser")
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_LineEdit")
self._loadPM_LineEdit(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_ListWidget")
self._loadPM_ListWidget(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_PushButton")
self._loadPM_PushButton(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_RadioButton")
self._loadPM_TextEdit(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_RadioButtonList( self,
title = "PM_RadioButtonList",
buttonList = OPTIONS_BUTTON_LIST,
checkedId = 2 )
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_SpinBox")
self._loadPM_SpinBox(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_TextEdit")
self._loadPM_TextEdit(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_GroupBox(self, title = "PM_ToolButton")
self._loadPM_ToolButton(pmGroupBox)
self.groupBoxes.append(pmGroupBox)
pmGroupBox = PM_ToolButtonGrid( self,
title = "PM_ToolButtonGrid",
buttonList = TOOL_BUTTON_LIST,
checkedId = 6,
setAsDefault = True )
self.groupBoxes.append(pmGroupBox)
self.widgetSelectorComboBox.clear()
titles = self._getGroupBoxTitles()
self.widgetSelectorComboBox.addItems(titles)
self._updateGroupBoxes(0)
def _loadGroupBox1(self, inPmGroupBox):
"""
Load widgets in the group box.
"""
memberChoices = [
"Custom", "Alpha helix", "Beta strand", "Pi helix", "3_10 helix",
"Polyproline-II helix", "Fully extended"
]
self.aaTypeComboBox= \
PM_ComboBox( inPmGroupBox,
label = "Conformation:",
choices = memberChoices,
index = 1,
setAsDefault = True,
spanWidth = False )
self.connect(self.aaTypeComboBox, SIGNAL("currentIndexChanged(int)"),
self._aaTypeChanged)
self.phiAngleField = \
PM_DoubleSpinBox( inPmGroupBox,
label = "Phi angle:",
value = self.phi,
setAsDefault = True,
minimum = -180.0,
maximum = 180.0,
singleStep = 1.0,
decimals = 1,
suffix = " degrees")
self.connect(self.phiAngleField, SIGNAL("valueChanged(double)"),
self._aaPhiAngleChanged)
self.phiAngleField.setEnabled(False)
self.psiAngleField = \
PM_DoubleSpinBox( inPmGroupBox,
label = "Psi angle:",
value = self.psi,
setAsDefault = True,
minimum = -180.0,
maximum = 180.0,
singleStep = 1.0,
decimals = 1,
suffix = " degrees" )
self.connect(self.psiAngleField, SIGNAL("valueChanged(double)"),
self._aaPsiAngleChanged)
self.psiAngleField.setEnabled(False)
self.aaTypesButtonGroup = \
PM_ToolButtonGrid( inPmGroupBox,
buttonList = AA_BUTTON_LIST,
label = "Amino acids",
checkedId = self.current_amino_acid, # Glycine
setAsDefault = True )
self.connect(self.aaTypesButtonGroup.buttonGroup,
SIGNAL("buttonClicked(int)"), self._setAminoAcidType)
return
def _loadGroupBox1(self, inPmGroupBox):
"""
Load widgets in the group box.
"""
memberChoices = [
"Custom", "Alpha helix", "Beta strand", "Pi helix", "3_10 helix",
"Polyproline-II helix", "Fully extended"
]
self.aaTypeComboBox= \
PM_ComboBox( inPmGroupBox,
label = "Conformation :",
choices = memberChoices,
index = 1,
setAsDefault = True,
spanWidth = False )
self.connect(self.aaTypeComboBox, SIGNAL("currentIndexChanged(int)"),
self._aaTypeChanged)
self.phiAngleField = \
PM_DoubleSpinBox( inPmGroupBox,
label = "Phi angle :",
value = -57.0,
setAsDefault = True,
minimum = -180.0,
maximum = 180.0,
singleStep = 1.0,
decimals = 1,
suffix = " degrees")
self.connect(self.phiAngleField, SIGNAL("valueChanged(double)"),
self._aaPhiAngleChanged)
self.phiAngleField.setEnabled(False)
self.psiAngleField = \
PM_DoubleSpinBox( inPmGroupBox,
label = "Psi angle :",
value = -47.0,
setAsDefault = True,
minimum = -180.0,
maximum = 180.0,
singleStep = 1.0,
decimals = 1,
suffix = " degrees" )
self.connect(self.psiAngleField, SIGNAL("valueChanged(double)"),
self._aaPsiAngleChanged)
self.psiAngleField.setEnabled(False)
self.invertChiralityPushButton = \
PM_PushButton( inPmGroupBox,
text = 'Invert chirality' ,
spanWidth = False
)
self.connect(self.invertChiralityPushButton, SIGNAL("clicked()"),
self._aaChiralityChanged)
self.aaTypesButtonGroup = \
PM_ToolButtonGrid( inPmGroupBox,
buttonList = AA_BUTTON_LIST,
label = "Amino acids :",
checkedId = 0,
setAsDefault = True )
self.connect(self.aaTypesButtonGroup.buttonGroup,
SIGNAL("buttonClicked(int)"), self._setAminoAcidType)
self.sequenceEditor = \
PM_TextEdit( inPmGroupBox,
label = "Sequence",
spanWidth = True )
self.sequenceEditor.insertHtml("", False, 4, 10, True)
self.sequenceEditor.setReadOnly(True)
self.startOverButton = \
PM_PushButton( inPmGroupBox,
label = "",
text = "Start Over",
spanWidth = True,
setAsDefault = True )
self.connect(self.startOverButton, SIGNAL("clicked()"),
self._startOverClicked)
