class BackrubProteinSim_PropertyManager(Command_PropertyManager):
"""
The BackrubProteinSim_PropertyManager class provides a Property Manager
for the B{Fixed backbone Protein Sequence Design} command on the flyout toolbar in the
Build > Protein > Simulate mode.
@ivar title: The title that appears in the property manager header.
@type title: str
@ivar pmName: The name of this property manager. This is used to set
the name of the PM_Dialog object via setObjectName().
@type name: str
@ivar iconPath: The relative path to the PNG file that contains a
22 x 22 icon image that appears in the PM header.
@type iconPath: str
"""
title = "Backrub Motion"
pmName = title
iconPath = "ui/actions/Command Toolbar/BuildProtein/Backrub.png"
def __init__(self, command):
"""
Constructor for the property manager.
"""
_superclass.__init__(self, command)
self.showTopRowButtons( PM_DONE_BUTTON | \
PM_WHATS_THIS_BUTTON)
msg = "Choose various parameters from below to design an optimized" \
" protein sequence with Rosetta with backrub motion allowed."
self.updateMessage(msg)
def connect_or_disconnect_signals(self, isConnect=True):
"""
Connect or disconnect widget signals sent to their slot methods.
This can be overridden in subclasses. By default it does nothing.
@param isConnect: If True the widget will send the signals to the slot
method.
@type isConnect: boolean
"""
if isConnect:
change_connect = self.win.connect
else:
change_connect = self.win.disconnect
change_connect(self.ex1Checkbox, SIGNAL("stateChanged(int)"),
self.update_ex1)
change_connect(self.ex1aroCheckbox, SIGNAL("stateChanged(int)"),
self.update_ex1aro)
change_connect(self.ex2Checkbox, SIGNAL("stateChanged(int)"),
self.update_ex2)
change_connect(self.ex2aroOnlyCheckbox, SIGNAL("stateChanged(int)"),
self.update_ex2aro_only)
change_connect(self.ex3Checkbox, SIGNAL("stateChanged(int)"),
self.update_ex3)
change_connect(self.ex4Checkbox, SIGNAL("stateChanged(int)"),
self.update_ex4)
change_connect(self.rotOptCheckbox, SIGNAL("stateChanged(int)"),
self.update_rot_opt)
change_connect(self.tryBothHisTautomersCheckbox,
SIGNAL("stateChanged(int)"),
self.update_try_both_his_tautomers)
change_connect(self.softRepDesignCheckbox, SIGNAL("stateChanged(int)"),
self.update_soft_rep_design)
change_connect(self.useElecRepCheckbox, SIGNAL("stateChanged(int)"),
self.update_use_elec_rep)
change_connect(self.norepackDisulfCheckbox,
SIGNAL("stateChanged(int)"),
self.update_norepack_disulf)
#signal slot connections for the push buttons
change_connect(self.okButton, SIGNAL("clicked()"),
self.runRosettaBackrubSim)
return
#Protein Display methods
def show(self):
"""
Shows the Property Manager. Exends superclass method.
"""
self.sequenceEditor = self.win.createProteinSequenceEditorIfNeeded()
self.sequenceEditor.hide()
#update the min and max residues spinbox max values based on the length
#of the current protein
numResidues = self._getNumResiduesForCurrentProtein()
if numResidues == 0:
self.minresSpinBox.setMaximum(numResidues + 2)
self.maxresSpinBox.setMaximum(numResidues + 2)
else:
self.minresSpinBox.setMaximum(numResidues)
self.maxresSpinBox.setMaximum(numResidues)
_superclass.show(self)
return
def _addGroupBoxes(self):
"""
Add the Property Manager group boxes.
"""
self._pmGroupBox2 = PM_GroupBox(self,
title="Backrub Specific Parameters")
self._loadGroupBox2(self._pmGroupBox2)
self._pmGroupBox1 = PM_GroupBox(
self, title="Rosetta Sequence Design Parameters")
self._loadGroupBox1(self._pmGroupBox1)
return
def _loadGroupBox2(self, pmGroupBox):
"""
Load widgets in group box.
"""
self.bondAngleWeightSimSpinBox = PM_DoubleSpinBox(
pmGroupBox,
labelColumn=0,
label="Bond angle weight:",
minimum=0.01,
decimals=2,
maximum=1.0,
singleStep=0.01,
value=1.0,
setAsDefault=False,
spanWidth=False)
bond_angle_param_list = ['Amber', 'Charmm']
self.bondAngleParamComboBox = PM_ComboBox(
pmGroupBox,
label="Bond angle parameters:",
choices=bond_angle_param_list,
setAsDefault=False)
self.onlybbSpinBox = PM_DoubleSpinBox(pmGroupBox,
labelColumn=0,
label="Only backbone rotation:",
minimum=0.01,
maximum=1.0,
value=0.75,
decimals=2,
singleStep=0.01,
setAsDefault=False,
spanWidth=False)
self.onlyrotSpinBox = PM_DoubleSpinBox(pmGroupBox,
labelColumn=0,
label="Only rotamer rotation:",
minimum=0.01,
maximum=1.0,
decimals=2,
value=0.25,
singleStep=0.01,
setAsDefault=False,
spanWidth=False)
self.mctempSpinBox = PM_DoubleSpinBox(
pmGroupBox,
labelColumn=0,
label="MC simulation temperature:",
minimum=0.1,
value=0.6,
maximum=1.0,
decimals=2,
singleStep=0.1,
setAsDefault=False,
spanWidth=False)
numResidues = self._getNumResiduesForCurrentProtein()
self.minresSpinBox = PM_SpinBox(pmGroupBox,
labelColumn=0,
label="Minimum number of residues:",
minimum=2,
maximum=numResidues,
singleStep=1,
setAsDefault=False,
spanWidth=False)
self.maxresSpinBox = PM_SpinBox(pmGroupBox,
labelColumn=0,
label="Maximum number of residues:",
minimum=2,
maximum=numResidues,
singleStep=1,
setAsDefault=False,
spanWidth=False)
if numResidues == 0:
self.minresSpinBox.setMaximum(numResidues + 2)
self.maxresSpinBox.setMaximum(numResidues + 2)
return
def _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
pass
def _addToolTipText(self):
"""
Tool Tip text for widgets in this Property Manager.
"""
pass
def _getNumResiduesForCurrentProtein(self):
"""
Get number of residues for the current protein
"""
_current_protein = self.win.assy.getSelectedProteinChunk()
if _current_protein:
return len(_current_protein.protein.get_sequence_string())
return 0
def _loadGroupBox1(self, pmGroupBox):
"""
Load widgets in group box.
"""
self.numSimSpinBox = PM_SpinBox(pmGroupBox,
labelColumn=0,
label="Number of trials:",
minimum=1000,
maximum=1000000,
singleStep=1000,
setAsDefault=False,
spanWidth=False)
self.ex1Checkbox = PM_CheckBox(
pmGroupBox,
text="Expand rotamer library for chi1 angle",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.ex1aroCheckbox = PM_CheckBox(
pmGroupBox,
text="Use large chi1 library for aromatic residues",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.ex2Checkbox = PM_CheckBox(
pmGroupBox,
text="Expand rotamer library for chi2 angle",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.ex2aroOnlyCheckbox = PM_CheckBox(
pmGroupBox,
text="Use large chi2 library only for aromatic residues",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.ex3Checkbox = PM_CheckBox(
pmGroupBox,
text="Expand rotamer library for chi3 angle",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.ex4Checkbox = PM_CheckBox(
pmGroupBox,
text="Expand rotamer library for chi4 angle",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.rotOptCheckbox = PM_CheckBox(pmGroupBox,
text="Optimize one-body energy",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.tryBothHisTautomersCheckbox = PM_CheckBox(
pmGroupBox,
text="Try both histidine tautomers",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.softRepDesignCheckbox = PM_CheckBox(
pmGroupBox,
text="Use softer Lennard-Jones repulsive term",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.useElecRepCheckbox = PM_CheckBox(
pmGroupBox,
text="Use electrostatic repulsion",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.norepackDisulfCheckbox = PM_CheckBox(
pmGroupBox,
text="Don't re-pack disulphide bonds",
state=Qt.Unchecked,
setAsDefault=False,
widgetColumn=0,
spanWidth=True)
self.otherCommandLineOptions = PM_TextEdit(
pmGroupBox, label="Command line options:", spanWidth=True)
self.otherCommandLineOptions.setFixedHeight(80)
self.okButton = PM_PushButton(pmGroupBox,
text="Run Rosetta",
setAsDefault=True,
spanWidth=True)
return
def update_ex1(self, state):
"""
Update the command text edit depending on the state of the update_ex1
checkbox
@param state:state of the update_ex1 checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex1Checkbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex1 '
else:
otherOptionsText = otherOptionsText.replace(' -ex1 ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex1aro(self, state):
"""
Update the command text edit depending on the state of the update_ex1aro
checkbox
@param state:state of the update_ex1aro checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex1aroCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex1aro '
else:
otherOptionsText = otherOptionsText.replace(' -ex1aro ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex2(self, state):
"""
Update the command text edit depending on the state of the update_ex2
checkbox
@param state:state of the update_ex2 checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex2Checkbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex2 '
else:
otherOptionsText = otherOptionsText.replace(' -ex2 ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex2aro_only(self, state):
"""
Update the command text edit depending on the state of the update_ex2aro_only
checkbox
@param state:state of the update_ex2aro_only checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex2aroOnlyCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex2aro_only '
else:
otherOptionsText = otherOptionsText.replace(' -ex2aro_only ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex3(self, state):
"""
Update the command text edit depending on the state of the update_ex3
checkbox
@param state:state of the update_ex3 checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex3Checkbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex3 '
else:
otherOptionsText = otherOptionsText.replace(' -ex3 ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex4(self, state):
"""
Update the command text edit depending on the state of the update_ex4
checkbox
@param state:state of the update_ex4 checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex4Checkbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex4 '
else:
otherOptionsText = otherOptionsText.replace(' -ex4 ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_rot_opt(self, state):
"""
Update the command text edit depending on the state of the update_rot_opt
checkbox
@param state:state of the update_rot_opt checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.rotOptCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -rot_opt '
else:
otherOptionsText = otherOptionsText.replace(' -rot_opt ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_try_both_his_tautomers(self, state):
"""
Update the command text edit depending on the state of the update_try_both_his_tautomers
checkbox
@param state:state of the update_try_both_his_tautomers checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.tryBothHisTautomersCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -try_both_his_tautomers '
else:
otherOptionsText = otherOptionsText.replace(
' -try_both_his_tautomers ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_soft_rep_design(self, state):
"""
Update the command text edit depending on the state of the update_soft_rep_design
checkbox
@param state:state of the update_soft_rep_design checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.softRepDesignCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -soft_rep_design '
else:
otherOptionsText = otherOptionsText.replace(
' -soft_rep_design ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_use_elec_rep(self, state):
"""
Update the command text edit depending on the state of the update_use_elec_rep
checkbox
@param state:state of the update_use_elec_rep checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.useElecRepCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -use_electrostatic_repulsion '
else:
otherOptionsText = otherOptionsText.replace(
' -use_electrostatic_repulsion ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_norepack_disulf(self, state):
"""
Update the command text edit depending on the state of the update_no_repack
checkbox
@param state:state of the update_no_repack checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.norepackDisulfCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -norepack_disulf '
else:
otherOptionsText = otherOptionsText.replace(
' -norepack_disulf ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def runRosettaBackrubSim(self):
"""
Get all the parameters from the PM and run a rosetta simulation
"""
proteinChunk = self.win.assy.getSelectedProteinChunk()
if not proteinChunk:
msg = "You must select a single protein to run a Rosetta <i>Backrub</i> simulation."
self.updateMessage(msg)
return
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
numSim = self.numSimSpinBox.value()
argList = [numSim, otherOptionsText, proteinChunk.name]
backrubSpecificArgList = self.getBackrubSpecificArgumentList()
from simulation.ROSETTA.rosetta_commandruns import rosettaSetup_CommandRun
if argList[0] > 0:
env.prefs[rosetta_backrub_enabled_prefs_key] = True
cmdrun = rosettaSetup_CommandRun(
self.win, argList, "BACKRUB_PROTEIN_SEQUENCE_DESIGN",
backrubSpecificArgList)
cmdrun.run()
return
def getBackrubSpecificArgumentList(self):
"""
get list of backrub specific parameters from PM
"""
listOfArgs = []
bond_angle_weight = str(self.bondAngleWeightSimSpinBox.value())
listOfArgs.append('-bond_angle_weight')
listOfArgs.append(bond_angle_weight)
if self.bondAngleParamComboBox.currentIndex() == 0:
bond_angle_params = 'bond_angle_amber_rosetta'
else:
bond_angle_params = 'bond_angle_charmm_rosetta'
listOfArgs.append('-bond_angle_params')
listOfArgs.append(bond_angle_params)
only_bb = str(self.onlybbSpinBox.value())
listOfArgs.append('-only_bb')
listOfArgs.append(only_bb)
only_rot = str(self.onlyrotSpinBox.value())
listOfArgs.append('-only_rot')
listOfArgs.append(only_rot)
mc_temp = str(self.mctempSpinBox.value())
listOfArgs.append('-mc_temp')
listOfArgs.append(mc_temp)
min_res = self.minresSpinBox.value()
max_res = self.maxresSpinBox.value()
if max_res < min_res:
msg = redmsg("Maximum number of residues for rosetta simulation with backrub" \
" motion cannot be less than minimum number of residues."\
" Neglecting this parameter for this simulation.")
env.history.message("BACKRUB SIMULATION: " + msg)
else:
listOfArgs.append('-min_res')
listOfArgs.append(str(min_res))
listOfArgs.append('-max_res')
listOfArgs.append(str(max_res))
return listOfArgs
class InsertPeptide_PropertyManager(EditCommand_PM):
"""
The InsertPeptide_PropertyManager class provides a Property Manager
for the "Insert > Peptide" command.
"""
# The title that appears in the property manager header.
title = "Insert Peptide"
# The name of this property manager. This will be set to
# the name of the PropMgr (this) object via setObjectName().
pmName = title
# The relative path to PNG file that appears in the header.
iconPath = "ui/actions/Command Toolbar/BuildProtein/InsertPeptide.png"
# phi psi angles will define the secondary structure of the peptide chain
phi = -57.0
psi = -47.0
chirality = 1
secondary = SS_HELIX
current_amino_acid = 7 # Glycine
# DEPRECATED ATTRS
#peptide_cache = []
#peptide_cache.append((0, 0, 0))
def __init__(self, command):
"""
Construct the Property Manager.
"""
_superclass.__init__(self, command)
self.showTopRowButtons( PM_DONE_BUTTON | \
PM_CANCEL_BUTTON | \
PM_WHATS_THIS_BUTTON)
return
def show(self):
"""
Extends superclass method.
"""
_superclass.show(self)
self.updateMessage("Choose the peptide parameters below, then click "\
"two endpoints in the graphics area to insert a "\
"peptide chain.")
return
def getParameters(self):
"""
Return the parameters from this property manager
to be used to create the peptide.
@return: A tuple containing the parameters
@rtype: tuple
@see: L{InsertPeptide_EditCommand._gatherParameters()} where this is used
"""
return (self.secondary, self.phi, self.psi, self.current_amino_acid)
def _addGroupBoxes(self):
"""
Add the group boxe to the Peptide Property Manager dialog.
"""
self.pmGroupBox1 = \
PM_GroupBox( self,
title = "Peptide Parameters" )
# Add group box widgets.
self._loadGroupBox1(self.pmGroupBox1)
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 = 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 _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
from ne1_ui.WhatsThisText_for_PropertyManagers import whatsThis_InsertPeptide_PropertyManager
whatsThis_InsertPeptide_PropertyManager(self)
return
def _addToolTipText(self):
"""
Tool Tip text for widgets in this Property Manager.
"""
from ne1_ui.ToolTipText_for_PropertyManagers import ToolTip_InsertPeptide_PropertyManager
ToolTip_InsertPeptide_PropertyManager(self)
return
def _aaChiralityChanged(self):
"""
Set chirality of the peptide chain.
"""
# This feature is currently disable as it was confusing to the users
# who expected control over chirality of amino acids (D/L conformers)
# rather than over polypeptide chain (left/right-handed structure).
self.psi *= -1
self.phi *= -1
self.phiAngleField.setValue(self.phi)
self.psiAngleField.setValue(self.psi)
return
def _aaTypeChanged(self, idx):
"""
Slot for Peptide Structure Type combo box. Changes phi/psi angles
for secondary structure.
@param idx: index of secondary structure combo box
@type idx: int
"""
self.ss_idx = idx
if idx == 0:
self.phiAngleField.setEnabled(True)
self.psiAngleField.setEnabled(True)
else:
self.phiAngleField.setEnabled(False)
self.psiAngleField.setEnabled(False)
if idx == 1: # alpha helix
self.phi = -57.0
self.psi = -47.0
self.secondary = SS_HELIX
elif idx == 2: # beta strand
self.phi = -135.0
self.psi = 135.0
self.secondary = SS_STRAND
elif idx == 3: # 3-10 helix
self.phi = -55.0
self.psi = -70.0
self.secondary = SS_HELIX
elif idx == 4: # pi helix
self.phi = -49.0
self.psi = -26.0
self.secondary = SS_HELIX
elif idx == 5: # polyprolin-II
self.phi = -75.0
self.psi = 150.0
self.secondary = SS_COIL
elif idx == 6: # fully extended
self.phi = -180.0
self.psi = 180.0
self.secondary = SS_STRAND
else:
self.phi = self.phiAngleField.value()
self.psi = self.psiAngleField.value()
self.secondary = SS_COIL
self.phi *= self.chirality
self.psi *= self.chirality
self.command.secondary = self.secondary
self.phiAngleField.setValue(self.phi)
self.psiAngleField.setValue(self.psi)
return
def _aaPhiAngleChanged(self, phi):
"""
Called when phi angle spin box has changed.
@param phi: phi angle value
@type phi: float
"""
self.phi = self.phiAngleField.value()
return
def _aaPsiAngleChanged(self, psi):
"""
Called when psi angle spin box has changed.
@param psi: psi angle value
@type psi: float
"""
self.psi = self.psiAngleField.value()
return
def _setAminoAcidType(self, index):
"""
Sets the current amino acid type to I{index}.
"""
self.current_amino_acid = index
return
# --------------------------------------------------------------------
# Deprecated methods to keep until we're certain this is working.
# --Mark 2008-12-12.
def addAminoAcid_DEPRECATED(self, index):
"""
Adds a new amino acid to the peptide molecule.
"""
# This commened out code is obsolete in interactive peptide builder.
# The interactive peptide builder creates homopeptides.
# add a new amino acid and chain conformation to the peptide cache
#self.peptide_cache.append((index,self.phi,self.psi))
#self.peptide_cache[0] = (index,self.phi,self.psi)
self.current_amino_acid = index
return
def _setAminoAcidType_DEPRECATED(self, aaTypeIndex):
"""
Adds a new amino acid to the peptide molecule.
"""
# piotr 080911: this method is obsolete as of 080911. It was used in
# the old Peptide Generator.
button, idx, short_name, dum, name, symbol, x, y = AA_BUTTON_LIST[
aaTypeIndex]
if self.ss_idx == 1:
aa_txt = "<font color=red>"
elif self.ss_idx == 2:
aa_txt = "<font color=blue>"
elif self.ss_idx == 3:
aa_txt = "<font color=green>"
elif self.ss_idx == 4:
aa_txt = "<font color=orange>"
elif self.ss_idx == 5:
aa_txt = "<font color=magenta>"
elif self.ss_idx == 6:
aa_txt = "<font color=darkblue>"
else:
aa_txt = "<font color=black>"
aa_txt += symbol + "</font>"
#self.sequenceEditor.insertHtml(aa_txt, False, 4, 10, False)
return
class InsertDna_PropertyManager(DnaOrCnt_PropertyManager):
"""
The InsertDna_PropertyManager class provides a Property Manager
for the B{Insert Dna} command.
@ivar title: The title that appears in the property manager header.
@type title: str
@ivar pmName: The name of this property manager. This is used to set
the name of the PM_Dialog object via setObjectName().
@type name: str
@ivar iconPath: The relative path to the PNG file that contains a
22 x 22 icon image that appears in the PM header.
@type iconPath: str
"""
title = "Insert DNA"
pmName = title
iconPath = "ui/actions/Command Toolbar/BuildDna/InsertDna.png"
def __init__(self, command):
"""
Constructor for the DNA Duplex property manager.
"""
self.endPoint1 = None
self.endPoint2 = None
self._conformation = "B-DNA"
self._numberOfBases = 0
self._basesPerTurn = getDuplexBasesPerTurn(self._conformation)
self._duplexRise = getDuplexRise(self._conformation)
self._duplexLength = getDuplexLength(self._conformation,
self._numberOfBases)
_superclass.__init__(self, command)
self.showTopRowButtons( PM_DONE_BUTTON | \
PM_CANCEL_BUTTON | \
PM_WHATS_THIS_BUTTON)
def connect_or_disconnect_signals(self, isConnect):
"""
Connect or disconnect widget signals sent to their slot methods.
This can be overridden in subclasses. By default it does nothing.
@param isConnect: If True the widget will send the signals to the slot
method.
@type isConnect: boolean
"""
if isConnect:
change_connect = self.win.connect
else:
change_connect = self.win.disconnect
change_connect(self._placementOptions.buttonGroup,
SIGNAL("buttonClicked(int)"),
self.activateSpecifyReferencePlaneTool)
change_connect(self.conformationComboBox,
SIGNAL("currentIndexChanged(int)"),
self.conformationComboBoxChanged)
change_connect(self.numberOfBasePairsSpinBox,
SIGNAL("valueChanged(int)"), self.numberOfBasesChanged)
change_connect(self.basesPerTurnDoubleSpinBox,
SIGNAL("valueChanged(double)"),
self.basesPerTurnChanged)
change_connect(self.duplexRiseDoubleSpinBox,
SIGNAL("valueChanged(double)"), self.duplexRiseChanged)
change_connect(self.showCursorTextCheckBox,
SIGNAL('stateChanged(int)'),
self._update_state_of_cursorTextGroupBox)
self.duplexRiseDoubleSpinBox.connectWithState(
Preferences_StateRef_double(bdnaRise_prefs_key,
env.prefs[bdnaRise_prefs_key]))
self.basesPerTurnDoubleSpinBox.connectWithState(
Preferences_StateRef_double(bdnaBasesPerTurn_prefs_key,
env.prefs[bdnaBasesPerTurn_prefs_key]))
def show(self):
_superclass.show(self)
self.updateMessage("Specify the DNA parameters below, then click "\
"two endpoints in the graphics area to insert a DNA duplex.")
def _addGroupBoxes(self):
"""
Add the DNA Property Manager group boxes.
"""
self._pmReferencePlaneGroupBox = PM_GroupBox(self,
title="Placement Options")
self._loadReferencePlaneGroupBox(self._pmReferencePlaneGroupBox)
self._pmGroupBox1 = PM_GroupBox(self, title="Endpoints")
self._loadGroupBox1(self._pmGroupBox1)
self._pmGroupBox1.hide()
self._pmGroupBox2 = PM_GroupBox(self, title="Parameters")
self._loadGroupBox2(self._pmGroupBox2)
self._displayOptionsGroupBox = PM_GroupBox(self,
title="Display Options")
self._loadDisplayOptionsGroupBox(self._displayOptionsGroupBox)
def _loadGroupBox1(self, pmGroupBox):
"""
Load widgets in group box 3.
"""
#Folllowing toolbutton facilitates entering a temporary DnaLineMode
#to create a DNA using endpoints of the specified line.
self.specifyDnaLineButton = PM_ToolButton(
pmGroupBox,
text="Specify Endpoints",
iconPath="ui/actions/Properties Manager/Pencil.png",
spanWidth=True)
self.specifyDnaLineButton.setCheckable(True)
self.specifyDnaLineButton.setAutoRaise(True)
self.specifyDnaLineButton.setToolButtonStyle(
Qt.ToolButtonTextBesideIcon)
#EndPoint1 and endPoint2 coordinates. These widgets are hidden
# as of 2007- 12 - 05
self._endPoint1SpinBoxes = PM_CoordinateSpinBoxes(pmGroupBox,
label="End Point 1")
self.x1SpinBox = self._endPoint1SpinBoxes.xSpinBox
self.y1SpinBox = self._endPoint1SpinBoxes.ySpinBox
self.z1SpinBox = self._endPoint1SpinBoxes.zSpinBox
self._endPoint2SpinBoxes = PM_CoordinateSpinBoxes(pmGroupBox,
label="End Point 2")
self.x2SpinBox = self._endPoint2SpinBoxes.xSpinBox
self.y2SpinBox = self._endPoint2SpinBoxes.ySpinBox
self.z2SpinBox = self._endPoint2SpinBoxes.zSpinBox
self._endPoint1SpinBoxes.hide()
self._endPoint2SpinBoxes.hide()
def _loadGroupBox2(self, pmGroupBox):
"""
Load widgets in group box 4.
"""
self.conformationComboBox = \
PM_ComboBox( pmGroupBox,
label = "Conformation:",
choices = ["B-DNA"],
setAsDefault = True)
dnaModelChoices = ['PAM3', 'PAM5']
self.dnaModelComboBox = \
PM_ComboBox( pmGroupBox,
label = "Model:",
choices = dnaModelChoices,
setAsDefault = True)
self.basesPerTurnDoubleSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "Bases per turn:",
value = env.prefs[bdnaBasesPerTurn_prefs_key],
setAsDefault = True,
minimum = 8.0,
maximum = 20.0,
decimals = 2,
singleStep = 0.1 )
self.duplexRiseDoubleSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "Rise:",
value = env.prefs[bdnaRise_prefs_key],
setAsDefault = True,
minimum = 2.0,
maximum = 4.0,
decimals = 3,
singleStep = 0.01 )
# Strand Length (i.e. the number of bases)
self.numberOfBasePairsSpinBox = \
PM_SpinBox( pmGroupBox,
label = "Base pairs:",
value = self._numberOfBases,
setAsDefault = False,
minimum = 0,
maximum = 10000 )
self.numberOfBasePairsSpinBox.setDisabled(True)
# Duplex Length
self.duplexLengthLineEdit = \
PM_LineEdit( pmGroupBox,
label = "Duplex length: ",
text = "0.0 Angstroms",
setAsDefault = False)
self.duplexLengthLineEdit.setDisabled(True)
def _loadDisplayOptionsGroupBox(self, pmGroupBox):
"""
Load widgets in the Display Options GroupBox
@see: DnaOrCnt_PropertyManager. _loadDisplayOptionsGroupBox
"""
#Call the superclass method that loads the cursor text checkboxes.
#Note, as of 2008-05-19, the superclass, DnaOrCnt_PropertyManager
#only loads the cursor text groupboxes. Subclasses like this can
#call custom methods like self._loadCursorTextCheckBoxes etc if they
#don't need all groupboxes that the superclass loads.
_superclass._loadDisplayOptionsGroupBox(self, pmGroupBox)
self._rubberbandLineGroupBox = PM_GroupBox(pmGroupBox,
title='Rubber band line:')
dnaLineChoices = ['Ribbons', 'Ladder']
self.dnaRubberBandLineDisplayComboBox = \
PM_ComboBox( self._rubberbandLineGroupBox ,
label = " Display as:",
choices = dnaLineChoices,
setAsDefault = True)
self.lineSnapCheckBox = \
PM_CheckBox(self._rubberbandLineGroupBox ,
text = 'Enable line snap' ,
widgetColumn = 1,
state = Qt.Checked
)
def _connect_showCursorTextCheckBox(self):
"""
Connect the show cursor text checkbox with user prefs_key.
Overrides
DnaOrCnt_PropertyManager._connect_showCursorTextCheckBox
"""
connect_checkbox_with_boolean_pref(
self.showCursorTextCheckBox,
dnaDuplexEditCommand_showCursorTextCheckBox_prefs_key)
def _params_for_creating_cursorTextCheckBoxes(self):
"""
Returns params needed to create various cursor text checkboxes connected
to prefs_keys that allow custom cursor texts.
@return: A list containing tuples in the following format:
('checkBoxTextString' , preference_key). PM_PrefsCheckBoxes
uses this data to create checkboxes with the the given names and
connects them to the provided preference keys. (Note that
PM_PrefsCheckBoxes puts thes within a GroupBox)
@rtype: list
@see: PM_PrefsCheckBoxes
@see: self._loadDisplayOptionsGroupBox where this list is used.
@see: Superclass method which is overridden here --
DnaOrCnt_PropertyManager._params_for_creating_cursorTextCheckBoxes()
"""
params = \
[ #Format: (" checkbox text", prefs_key)
("Number of base pairs",
dnaDuplexEditCommand_cursorTextCheckBox_numberOfBasePairs_prefs_key),
("Number of turns",
dnaDuplexEditCommand_cursorTextCheckBox_numberOfTurns_prefs_key),
("Duplex length",
dnaDuplexEditCommand_cursorTextCheckBox_length_prefs_key),
("Angle",
dnaDuplexEditCommand_cursorTextCheckBox_angle_prefs_key) ]
return params
def _addToolTipText(self):
"""
Tool Tip text for widgets in the DNA Property Manager.
"""
pass
def conformationComboBoxChanged(self, inIndex):
"""
Slot for the Conformation combobox. It is called whenever the
Conformation choice is changed.
@param inIndex: The new index.
@type inIndex: int
"""
conformation = self.conformationComboBox.currentText()
if conformation == "B-DNA":
self.basesPerTurnDoubleSpinBox.setValue("10.0")
elif conformation == "Z-DNA":
self.basesPerTurnDoubleSpinBox.setValue("12.0")
else:
msg = redmsg("conformationComboBoxChanged(): \
Error - unknown DNA conformation. Index = " + inIndex)
env.history.message(msg)
self.duplexLengthSpinBox.setSingleStep(getDuplexRise(conformation))
def numberOfBasesChanged(self, numberOfBases):
"""
Slot for the B{Number of Bases} spinbox.
"""
# Update the Duplex Length lineEdit widget.
text = str(getDuplexLength(self._conformation,
numberOfBases,
self._duplexRise)) \
+ " Angstroms"
self.duplexLengthLineEdit.setText(text)
return
def basesPerTurnChanged(self, basesPerTurn):
"""
Slot for the B{Bases per turn} spinbox.
"""
self.command.basesPerTurn = basesPerTurn
self._basesPerTurn = basesPerTurn
return
def duplexRiseChanged(self, rise):
"""
Slot for the B{Rise} spinbox.
"""
self.command.duplexRise = rise
self._duplexRise = rise
return
def getParameters(self):
"""
Return the parameters from this property manager
to be used to create the DNA duplex.
@return: A tuple containing the parameters
@rtype: tuple
@see: L{InsertDna_EditCommand._gatherParameters} where this is used
"""
numberOfBases = self.numberOfBasePairsSpinBox.value()
dnaForm = str(self.conformationComboBox.currentText())
basesPerTurn = self.basesPerTurnDoubleSpinBox.value()
duplexRise = self.duplexRiseDoubleSpinBox.value()
dnaModel = str(self.dnaModelComboBox.currentText())
# First endpoint (origin) of DNA duplex
x1 = self.x1SpinBox.value()
y1 = self.y1SpinBox.value()
z1 = self.z1SpinBox.value()
# Second endpoint (direction vector/axis) of DNA duplex.
x2 = self.x2SpinBox.value()
y2 = self.y2SpinBox.value()
z2 = self.z2SpinBox.value()
if not self.endPoint1:
self.endPoint1 = V(x1, y1, z1)
if not self.endPoint2:
self.endPoint2 = V(x2, y2, z2)
return (numberOfBases, dnaForm, dnaModel, basesPerTurn, duplexRise,
self.endPoint1, self.endPoint2)
def _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
whatsThis_InsertDna_PropertyManager(self)
class BackrubProteinSim_PropertyManager(Command_PropertyManager):
"""
The BackrubProteinSim_PropertyManager class provides a Property Manager
for the B{Fixed backbone Protein Sequence Design} command on the flyout toolbar in the
Build > Protein > Simulate mode.
@ivar title: The title that appears in the property manager header.
@type title: str
@ivar pmName: The name of this property manager. This is used to set
the name of the PM_Dialog object via setObjectName().
@type name: str
@ivar iconPath: The relative path to the PNG file that contains a
22 x 22 icon image that appears in the PM header.
@type iconPath: str
"""
title = "Backrub Motion"
pmName = title
iconPath = "ui/actions/Command Toolbar/BuildProtein/Backrub.png"
def __init__( self, command ):
"""
Constructor for the property manager.
"""
_superclass.__init__(self, command)
self.showTopRowButtons( PM_DONE_BUTTON | \
PM_WHATS_THIS_BUTTON)
msg = "Choose various parameters from below to design an optimized" \
" protein sequence with Rosetta with backrub motion allowed."
self.updateMessage(msg)
def connect_or_disconnect_signals(self, isConnect = True):
"""
Connect or disconnect widget signals sent to their slot methods.
This can be overridden in subclasses. By default it does nothing.
@param isConnect: If True the widget will send the signals to the slot
method.
@type isConnect: boolean
"""
if isConnect:
change_connect = self.win.connect
else:
change_connect = self.win.disconnect
change_connect(self.ex1Checkbox, SIGNAL("stateChanged(int)"), self.update_ex1)
change_connect(self.ex1aroCheckbox, SIGNAL("stateChanged(int)"), self.update_ex1aro)
change_connect(self.ex2Checkbox, SIGNAL("stateChanged(int)"), self.update_ex2)
change_connect(self.ex2aroOnlyCheckbox, SIGNAL("stateChanged(int)"), self.update_ex2aro_only)
change_connect(self.ex3Checkbox, SIGNAL("stateChanged(int)"), self.update_ex3)
change_connect(self.ex4Checkbox, SIGNAL("stateChanged(int)"), self.update_ex4)
change_connect(self.rotOptCheckbox, SIGNAL("stateChanged(int)"), self.update_rot_opt)
change_connect(self.tryBothHisTautomersCheckbox, SIGNAL("stateChanged(int)"), self.update_try_both_his_tautomers)
change_connect(self.softRepDesignCheckbox, SIGNAL("stateChanged(int)"), self.update_soft_rep_design)
change_connect(self.useElecRepCheckbox, SIGNAL("stateChanged(int)"), self.update_use_elec_rep)
change_connect(self.norepackDisulfCheckbox, SIGNAL("stateChanged(int)"), self.update_norepack_disulf)
#signal slot connections for the push buttons
change_connect(self.okButton, SIGNAL("clicked()"), self.runRosettaBackrubSim)
return
#Protein Display methods
def show(self):
"""
Shows the Property Manager. Exends superclass method.
"""
self.sequenceEditor = self.win.createProteinSequenceEditorIfNeeded()
self.sequenceEditor.hide()
#update the min and max residues spinbox max values based on the length
#of the current protein
numResidues = self._getNumResiduesForCurrentProtein()
if numResidues == 0:
self.minresSpinBox.setMaximum(numResidues + 2)
self.maxresSpinBox.setMaximum(numResidues + 2)
else:
self.minresSpinBox.setMaximum(numResidues)
self.maxresSpinBox.setMaximum(numResidues)
_superclass.show(self)
return
def _addGroupBoxes( self ):
"""
Add the Property Manager group boxes.
"""
self._pmGroupBox2 = PM_GroupBox( self,
title = "Backrub Specific Parameters")
self._loadGroupBox2( self._pmGroupBox2 )
self._pmGroupBox1 = PM_GroupBox( self,
title = "Rosetta Sequence Design Parameters")
self._loadGroupBox1( self._pmGroupBox1 )
return
def _loadGroupBox2(self, pmGroupBox):
"""
Load widgets in group box.
"""
self.bondAngleWeightSimSpinBox = PM_DoubleSpinBox( pmGroupBox,
labelColumn = 0,
label = "Bond angle weight:",
minimum = 0.01,
decimals = 2,
maximum = 1.0,
singleStep = 0.01,
value = 1.0,
setAsDefault = False,
spanWidth = False)
bond_angle_param_list = ['Amber', 'Charmm']
self.bondAngleParamComboBox = PM_ComboBox( pmGroupBox,
label = "Bond angle parameters:",
choices = bond_angle_param_list,
setAsDefault = False)
self.onlybbSpinBox = PM_DoubleSpinBox( pmGroupBox,
labelColumn = 0,
label = "Only backbone rotation:",
minimum = 0.01,
maximum = 1.0,
value = 0.75,
decimals = 2,
singleStep = 0.01,
setAsDefault = False,
spanWidth = False)
self.onlyrotSpinBox = PM_DoubleSpinBox( pmGroupBox,
labelColumn = 0,
label = "Only rotamer rotation:",
minimum = 0.01,
maximum = 1.0,
decimals = 2,
value = 0.25,
singleStep = 0.01,
setAsDefault = False,
spanWidth = False)
self.mctempSpinBox = PM_DoubleSpinBox( pmGroupBox,
labelColumn = 0,
label = "MC simulation temperature:",
minimum = 0.1,
value = 0.6,
maximum = 1.0,
decimals = 2,
singleStep = 0.1,
setAsDefault = False,
spanWidth = False)
numResidues = self._getNumResiduesForCurrentProtein()
self.minresSpinBox = PM_SpinBox( pmGroupBox,
labelColumn = 0,
label = "Minimum number of residues:",
minimum = 2,
maximum = numResidues,
singleStep = 1,
setAsDefault = False,
spanWidth = False)
self.maxresSpinBox = PM_SpinBox( pmGroupBox,
labelColumn = 0,
label = "Maximum number of residues:",
minimum = 2,
maximum = numResidues,
singleStep = 1,
setAsDefault = False,
spanWidth = False)
if numResidues == 0:
self.minresSpinBox.setMaximum(numResidues + 2)
self.maxresSpinBox.setMaximum(numResidues + 2)
return
def _addWhatsThisText( self ):
"""
What's This text for widgets in this Property Manager.
"""
pass
def _addToolTipText(self):
"""
Tool Tip text for widgets in this Property Manager.
"""
pass
def _getNumResiduesForCurrentProtein(self):
"""
Get number of residues for the current protein
"""
_current_protein = self.win.assy.getSelectedProteinChunk()
if _current_protein:
return len(_current_protein.protein.get_sequence_string())
return 0
def _loadGroupBox1(self, pmGroupBox):
"""
Load widgets in group box.
"""
self.numSimSpinBox = PM_SpinBox( pmGroupBox,
labelColumn = 0,
label = "Number of trials:",
minimum = 1000,
maximum = 1000000,
singleStep = 1000,
setAsDefault = False,
spanWidth = False)
self.ex1Checkbox = PM_CheckBox(pmGroupBox,
text = "Expand rotamer library for chi1 angle",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.ex1aroCheckbox = PM_CheckBox(pmGroupBox,
text = "Use large chi1 library for aromatic residues",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.ex2Checkbox = PM_CheckBox(pmGroupBox,
text = "Expand rotamer library for chi2 angle",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.ex2aroOnlyCheckbox = PM_CheckBox(pmGroupBox,
text = "Use large chi2 library only for aromatic residues",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.ex3Checkbox = PM_CheckBox(pmGroupBox,
text = "Expand rotamer library for chi3 angle",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.ex4Checkbox = PM_CheckBox(pmGroupBox,
text ="Expand rotamer library for chi4 angle",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.rotOptCheckbox = PM_CheckBox(pmGroupBox,
text ="Optimize one-body energy",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.tryBothHisTautomersCheckbox = PM_CheckBox(pmGroupBox,
text ="Try both histidine tautomers",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.softRepDesignCheckbox = PM_CheckBox(pmGroupBox,
text ="Use softer Lennard-Jones repulsive term",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.useElecRepCheckbox = PM_CheckBox(pmGroupBox,
text ="Use electrostatic repulsion",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.norepackDisulfCheckbox = PM_CheckBox(pmGroupBox,
text ="Don't re-pack disulphide bonds",
state = Qt.Unchecked,
setAsDefault = False,
widgetColumn = 0,
spanWidth = True)
self.otherCommandLineOptions = PM_TextEdit(pmGroupBox,
label = "Command line options:",
spanWidth = True)
self.otherCommandLineOptions.setFixedHeight(80)
self.okButton = PM_PushButton( pmGroupBox,
text = "Run Rosetta",
setAsDefault = True,
spanWidth = True)
return
def update_ex1(self, state):
"""
Update the command text edit depending on the state of the update_ex1
checkbox
@param state:state of the update_ex1 checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex1Checkbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex1 '
else:
otherOptionsText = otherOptionsText.replace(' -ex1 ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex1aro(self, state):
"""
Update the command text edit depending on the state of the update_ex1aro
checkbox
@param state:state of the update_ex1aro checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex1aroCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex1aro '
else:
otherOptionsText = otherOptionsText.replace(' -ex1aro ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex2(self, state):
"""
Update the command text edit depending on the state of the update_ex2
checkbox
@param state:state of the update_ex2 checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex2Checkbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex2 '
else:
otherOptionsText = otherOptionsText.replace(' -ex2 ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex2aro_only(self, state):
"""
Update the command text edit depending on the state of the update_ex2aro_only
checkbox
@param state:state of the update_ex2aro_only checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex2aroOnlyCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex2aro_only '
else:
otherOptionsText = otherOptionsText.replace(' -ex2aro_only ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex3(self, state):
"""
Update the command text edit depending on the state of the update_ex3
checkbox
@param state:state of the update_ex3 checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex3Checkbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex3 '
else:
otherOptionsText = otherOptionsText.replace(' -ex3 ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_ex4(self, state):
"""
Update the command text edit depending on the state of the update_ex4
checkbox
@param state:state of the update_ex4 checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.ex4Checkbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -ex4 '
else:
otherOptionsText = otherOptionsText.replace(' -ex4 ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_rot_opt(self, state):
"""
Update the command text edit depending on the state of the update_rot_opt
checkbox
@param state:state of the update_rot_opt checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.rotOptCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -rot_opt '
else:
otherOptionsText = otherOptionsText.replace(' -rot_opt ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_try_both_his_tautomers(self, state):
"""
Update the command text edit depending on the state of the update_try_both_his_tautomers
checkbox
@param state:state of the update_try_both_his_tautomers checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.tryBothHisTautomersCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -try_both_his_tautomers '
else:
otherOptionsText = otherOptionsText.replace(' -try_both_his_tautomers ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_soft_rep_design(self, state):
"""
Update the command text edit depending on the state of the update_soft_rep_design
checkbox
@param state:state of the update_soft_rep_design checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.softRepDesignCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -soft_rep_design '
else:
otherOptionsText = otherOptionsText.replace(' -soft_rep_design ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_use_elec_rep(self, state):
"""
Update the command text edit depending on the state of the update_use_elec_rep
checkbox
@param state:state of the update_use_elec_rep checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.useElecRepCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -use_electrostatic_repulsion '
else:
otherOptionsText = otherOptionsText.replace(' -use_electrostatic_repulsion ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def update_norepack_disulf(self, state):
"""
Update the command text edit depending on the state of the update_no_repack
checkbox
@param state:state of the update_no_repack checkbox
@type state: int
"""
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
if self.norepackDisulfCheckbox.isChecked() == True:
otherOptionsText = otherOptionsText + ' -norepack_disulf '
else:
otherOptionsText = otherOptionsText.replace(' -norepack_disulf ', '')
self.otherCommandLineOptions.setText(otherOptionsText)
return
def runRosettaBackrubSim(self):
"""
Get all the parameters from the PM and run a rosetta simulation
"""
proteinChunk = self.win.assy.getSelectedProteinChunk()
if not proteinChunk:
msg = "You must select a single protein to run a Rosetta <i>Backrub</i> simulation."
self.updateMessage(msg)
return
otherOptionsText = str(self.otherCommandLineOptions.toPlainText())
numSim = self.numSimSpinBox.value()
argList = [numSim, otherOptionsText, proteinChunk.name]
backrubSpecificArgList = self.getBackrubSpecificArgumentList()
from simulation.ROSETTA.rosetta_commandruns import rosettaSetup_CommandRun
if argList[0] > 0:
env.prefs[rosetta_backrub_enabled_prefs_key] = True
cmdrun = rosettaSetup_CommandRun(self.win, argList, "BACKRUB_PROTEIN_SEQUENCE_DESIGN", backrubSpecificArgList)
cmdrun.run()
return
def getBackrubSpecificArgumentList(self):
"""
get list of backrub specific parameters from PM
"""
listOfArgs = []
bond_angle_weight = str(self.bondAngleWeightSimSpinBox.value())
listOfArgs.append('-bond_angle_weight')
listOfArgs.append( bond_angle_weight)
if self.bondAngleParamComboBox.currentIndex() == 0:
bond_angle_params = 'bond_angle_amber_rosetta'
else:
bond_angle_params = 'bond_angle_charmm_rosetta'
listOfArgs.append('-bond_angle_params')
listOfArgs.append(bond_angle_params)
only_bb = str(self.onlybbSpinBox.value())
listOfArgs.append('-only_bb')
listOfArgs.append( only_bb)
only_rot = str(self.onlyrotSpinBox.value())
listOfArgs.append('-only_rot')
listOfArgs.append( only_rot)
mc_temp = str(self.mctempSpinBox.value())
listOfArgs.append('-mc_temp')
listOfArgs.append( mc_temp)
min_res = self.minresSpinBox.value()
max_res = self.maxresSpinBox.value()
if max_res < min_res:
msg = redmsg("Maximum number of residues for rosetta simulation with backrub" \
" motion cannot be less than minimum number of residues."\
" Neglecting this parameter for this simulation.")
env.history.message("BACKRUB SIMULATION: " + msg)
else:
listOfArgs.append('-min_res')
listOfArgs.append( str(min_res))
listOfArgs.append('-max_res')
listOfArgs.append( str(max_res))
return listOfArgs
class PlanePropertyManager(EditCommand_PM):
"""
The PlanePropertyManager class provides a Property Manager for a
(reference) Plane.
"""
# The title that appears in the Property Manager header.
title = "Plane"
# The name of this Property Manager. This will be set to
# the name of the PM_Dialog object via setObjectName().
pmName = title
# The relative path to the PNG file that appears in the header
iconPath = "ui/actions/Insert/Reference Geometry/Plane.png"
def __init__(self, command):
"""
Construct the Plane Property Manager.
@param plane: The plane.
@type plane: L{Plane}
"""
#see self.connect_or_disconnect_signals for comment about this flag
self.isAlreadyConnected = False
self.isAlreadyDisconnected = False
self.gridColor = black
self.gridXSpacing = 4.0
self.gridYSpacing = 4.0
self.gridLineType = 3
self.displayLabels = False
self.originLocation = PLANE_ORIGIN_LOWER_LEFT
self.displayLabelStyle = LABELS_ALONG_ORIGIN
EditCommand_PM.__init__(self, command)
# Hide Preview and Restore defaults buttons
self.hideTopRowButtons(PM_RESTORE_DEFAULTS_BUTTON)
def _addGroupBoxes(self):
"""
Add the 1st group box to the Property Manager.
"""
# Placement Options radio button list to create radio button list.
# Format: buttonId, buttonText, tooltip
PLACEMENT_OPTIONS_BUTTON_LIST = [ \
( 0, "Parallel to screen", "Parallel to screen" ),
( 1, "Through selected atoms", "Through selected atoms" ),
( 2, "Offset to a plane", "Offset to a plane" ),
( 3, "Custom", "Custom" )
]
self.pmPlacementOptions = \
PM_RadioButtonList( self,
title = "Placement Options",
buttonList = PLACEMENT_OPTIONS_BUTTON_LIST,
checkedId = 3 )
self.pmGroupBox1 = PM_GroupBox(self, title="Parameters")
self._loadGroupBox1(self.pmGroupBox1)
#image groupbox
self.pmGroupBox2 = PM_GroupBox(self, title="Image")
self._loadGroupBox2(self.pmGroupBox2)
#grid plane groupbox
self.pmGroupBox3 = PM_GroupBox(self, title="Grid")
self._loadGroupBox3(self.pmGroupBox3)
def _loadGroupBox3(self, pmGroupBox):
"""
Load widgets in the grid plane group box.
@param pmGroupBox: The grid group box in the PM.
@type pmGroupBox: L{PM_GroupBox}
"""
self.gridPlaneCheckBox = \
PM_CheckBox( pmGroupBox,
text = "Show grid",
widgetColumn = 0,
setAsDefault = True,
spanWidth = True
)
connect_checkbox_with_boolean_pref(self.gridPlaneCheckBox,
PlanePM_showGrid_prefs_key)
self.gpXSpacingDoubleSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "X Spacing:",
value = 4.000,
setAsDefault = True,
minimum = 1.00,
maximum = 200.0,
decimals = 3,
singleStep = 1.0,
spanWidth = False)
self.gpYSpacingDoubleSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "Y Spacing:",
value = 4.000,
setAsDefault = True,
minimum = 1.00,
maximum = 200.0,
decimals = 3,
singleStep = 1.0,
spanWidth = False)
lineTypeChoices = ['Dotted (default)', 'Dashed', 'Solid']
self.gpLineTypeComboBox = \
PM_ComboBox( pmGroupBox ,
label = "Line type:",
choices = lineTypeChoices,
setAsDefault = True)
hhColorList = [
black, orange, red, magenta, cyan, blue, white, yellow, gray
]
hhColorNames = [
"Black (default)", "Orange", "Red", "Magenta", "Cyan", "Blue",
"White", "Yellow", "Other color..."
]
self.gpColorTypeComboBox = \
PM_ColorComboBox( pmGroupBox,
colorList = hhColorList,
colorNames = hhColorNames,
color = black )
self.pmGroupBox5 = PM_GroupBox(pmGroupBox)
self.gpDisplayLabels =\
PM_CheckBox( self.pmGroupBox5,
text = "Display labels",
widgetColumn = 0,
state = Qt.Unchecked,
setAsDefault = True,
spanWidth = True )
originChoices = [
'Lower left (default)', 'Upper left', 'Lower right', 'Upper right'
]
self.gpOriginComboBox = \
PM_ComboBox( self.pmGroupBox5 ,
label = "Origin:",
choices = originChoices,
setAsDefault = True )
positionChoices = ['Origin axes (default)', 'Plane perimeter']
self.gpPositionComboBox = \
PM_ComboBox( self.pmGroupBox5 ,
label = "Position:",
choices = positionChoices,
setAsDefault = True)
self._showHideGPWidgets()
if env.prefs[PlanePM_showGridLabels_prefs_key]:
self.displayLabels = True
self.gpOriginComboBox.setEnabled(True)
self.gpPositionComboBox.setEnabled(True)
else:
self.displayLabels = False
self.gpOriginComboBox.setEnabled(False)
self.gpPositionComboBox.setEnabled(False)
return
def connect_or_disconnect_signals(self, isConnect):
"""
Connect or disconnect widget signals sent to their slot methods.
This can be overridden in subclasses. By default it does nothing.
@param isConnect: If True the widget will send the signals to the slot
method.
@type isConnect: boolean
"""
#TODO: Fix for bug: When you invoke a temporary mode
# entering such a temporary mode keeps the signals of
#PM from the previous mode connected (
#but while exiting that temporary mode and reentering the
#previous mode, it actually reconnects the signal! This gives rise to
#lots of bugs. This needs more general fix in Temporary mode API.
# -- Ninad 2008-01-09 (similar comment exists in MovePropertyManager.py
#UPDATE: (comment copied and modifief from BuildNanotube_PropertyManager.
#The general problem still remains -- Ninad 2008-06-25
if isConnect and self.isAlreadyConnected:
if debug_flags.atom_debug:
print_compact_stack("warning: attempt to connect widgets"\
"in this PM that are already connected." )
return
if not isConnect and self.isAlreadyDisconnected:
if debug_flags.atom_debug:
print_compact_stack("warning: attempt to disconnect widgets"\
"in this PM that are already disconnected.")
return
self.isAlreadyConnected = isConnect
self.isAlreadyDisconnected = not isConnect
if isConnect:
change_connect = self.win.connect
else:
change_connect = self.win.disconnect
change_connect(self.pmPlacementOptions.buttonGroup,
SIGNAL("buttonClicked(int)"), self.changePlanePlacement)
change_connect(self.widthDblSpinBox, SIGNAL("valueChanged(double)"),
self.change_plane_width)
change_connect(self.heightDblSpinBox, SIGNAL("valueChanged(double)"),
self.change_plane_height)
change_connect(self.aspectRatioCheckBox, SIGNAL("stateChanged(int)"),
self._enableAspectRatioSpinBox)
#signal slot connection for imageDisplayCheckBox
change_connect(self.imageDisplayCheckBox, SIGNAL("stateChanged(int)"),
self.toggleFileChooserBehavior)
#signal slot connection for imageDisplayFileChooser
change_connect(self.imageDisplayFileChooser.lineEdit,
SIGNAL("editingFinished()"), self.update_imageFile)
#signal slot connection for heightfieldDisplayCheckBox
change_connect(self.heightfieldDisplayCheckBox,
SIGNAL("stateChanged(int)"), self.toggleHeightfield)
#signal slot connection for heightfieldHQDisplayCheckBox
change_connect(self.heightfieldHQDisplayCheckBox,
SIGNAL("stateChanged(int)"), self.toggleHeightfieldHQ)
#signal slot connection for heightfieldTextureCheckBox
change_connect(self.heightfieldTextureCheckBox,
SIGNAL("stateChanged(int)"), self.toggleTexture)
#signal slot connection for vScaleSpinBox
change_connect(self.vScaleSpinBox, SIGNAL("valueChanged(double)"),
self.change_vertical_scale)
change_connect(self.plusNinetyButton, SIGNAL("clicked()"),
self.rotate_90)
change_connect(self.minusNinetyButton, SIGNAL("clicked()"),
self.rotate_neg_90)
change_connect(self.flipButton, SIGNAL("clicked()"), self.flip_image)
change_connect(self.mirrorButton, SIGNAL("clicked()"),
self.mirror_image)
change_connect(self.gridPlaneCheckBox, SIGNAL("stateChanged(int)"),
self.displayGridPlane)
change_connect(self.gpXSpacingDoubleSpinBox,
SIGNAL("valueChanged(double)"), self.changeXSpacingInGP)
change_connect(self.gpYSpacingDoubleSpinBox,
SIGNAL("valueChanged(double)"), self.changeYSpacingInGP)
change_connect(self.gpLineTypeComboBox,
SIGNAL("currentIndexChanged(int)"),
self.changeLineTypeInGP)
change_connect(self.gpColorTypeComboBox, SIGNAL("editingFinished()"),
self.changeColorTypeInGP)
change_connect(self.gpDisplayLabels, SIGNAL("stateChanged(int)"),
self.displayLabelsInGP)
change_connect(self.gpOriginComboBox,
SIGNAL("currentIndexChanged(int)"),
self.changeOriginInGP)
change_connect(self.gpPositionComboBox,
SIGNAL("currentIndexChanged(int)"),
self.changePositionInGP)
self._connect_checkboxes_to_global_prefs_keys()
return
def _connect_checkboxes_to_global_prefs_keys(self):
"""
"""
connect_checkbox_with_boolean_pref(self.gridPlaneCheckBox,
PlanePM_showGrid_prefs_key)
connect_checkbox_with_boolean_pref(self.gpDisplayLabels,
PlanePM_showGridLabels_prefs_key)
def changePositionInGP(self, idx):
"""
Change Display of origin Labels (choices are along origin edges or along
the plane perimeter.
@param idx: Current index of the change grid label position combo box
@type idx: int
"""
if idx == 0:
self.displayLabelStyle = LABELS_ALONG_ORIGIN
elif idx == 1:
self.displayLabelStyle = LABELS_ALONG_PLANE_EDGES
else:
print "Invalid index", idx
return
def changeOriginInGP(self, idx):
"""
Change Display of origin Labels based on the location of the origin
@param idx: Current index of the change origin position combo box
@type idx: int
"""
if idx == 0:
self.originLocation = PLANE_ORIGIN_LOWER_LEFT
elif idx == 1:
self.originLocation = PLANE_ORIGIN_UPPER_LEFT
elif idx == 2:
self.originLocation = PLANE_ORIGIN_LOWER_RIGHT
elif idx == 3:
self.originLocation = PLANE_ORIGIN_UPPER_RIGHT
else:
print "Invalid index", idx
return
def displayLabelsInGP(self, state):
"""
Choose to show or hide grid labels
@param state: State of the Display Label Checkbox
@type state: boolean
"""
if env.prefs[PlanePM_showGridLabels_prefs_key]:
self.gpOriginComboBox.setEnabled(True)
self.gpPositionComboBox.setEnabled(True)
self.displayLabels = True
self.originLocation = PLANE_ORIGIN_LOWER_LEFT
self.displayLabelStyle = LABELS_ALONG_ORIGIN
else:
self.gpOriginComboBox.setEnabled(False)
self.gpPositionComboBox.setEnabled(False)
self.displayLabels = False
return
def changeColorTypeInGP(self):
"""
Change Color of grid
"""
self.gridColor = self.gpColorTypeComboBox.getColor()
return
def changeLineTypeInGP(self, idx):
"""
Change line type in grid
@param idx: Current index of the Line type combo box
@type idx: int
"""
#line_type for actually drawing the grid is: 0=None, 1=Solid, 2=Dashed" or 3=Dotted
if idx == 0:
self.gridLineType = 3
if idx == 1:
self.gridLineType = 2
if idx == 2:
self.gridLineType = 1
return
def changeYSpacingInGP(self, val):
"""
Change Y spacing on the grid
@param val:value of Y spacing
@type val: double
"""
self.gridYSpacing = float(val)
return
def changeXSpacingInGP(self, val):
"""
Change X spacing on the grid
@param val:value of X spacing
@type val: double
"""
self.gridXSpacing = float(val)
return
def displayGridPlane(self, state):
"""
Display or hide grid based on the state of the checkbox
@param state: State of the Display Label Checkbox
@type state: boolean
"""
self._showHideGPWidgets()
if self.gridPlaneCheckBox.isChecked():
env.prefs[PlanePM_showGrid_prefs_key] = True
self._makeGridPlane()
else:
env.prefs[PlanePM_showGrid_prefs_key] = False
return
def _makeGridPlane(self):
"""
Show grid on the plane
"""
#get all the grid related values in here
self.gridXSpacing = float(self.gpXSpacingDoubleSpinBox.value())
self.gridYSpacing = float(self.gpYSpacingDoubleSpinBox.value())
#line_type for actually drawing the grid is: 0=None, 1=Solid, 2=Dashed" or 3=Dotted
idx = self.gpLineTypeComboBox.currentIndex()
self.changeLineTypeInGP(idx)
self.gridColor = self.gpColorTypeComboBox.getColor()
return
def _showHideGPWidgets(self):
"""
Enable Disable grid related widgets based on the state of the show grid
checkbox.
"""
if self.gridPlaneCheckBox.isChecked():
self.gpXSpacingDoubleSpinBox.setEnabled(True)
self.gpYSpacingDoubleSpinBox.setEnabled(True)
self.gpLineTypeComboBox.setEnabled(True)
self.gpColorTypeComboBox.setEnabled(True)
self.gpDisplayLabels.setEnabled(True)
else:
self.gpXSpacingDoubleSpinBox.setEnabled(False)
self.gpXSpacingDoubleSpinBox.setEnabled(False)
self.gpYSpacingDoubleSpinBox.setEnabled(False)
self.gpLineTypeComboBox.setEnabled(False)
self.gpColorTypeComboBox.setEnabled(False)
self.gpDisplayLabels.setEnabled(False)
return
def _loadGroupBox2(self, pmGroupBox):
"""
Load widgets in the image group box.
@param pmGroupBox: The image group box in the PM.
@type pmGroupBox: L{PM_GroupBox}
"""
self.imageDisplayCheckBox = \
PM_CheckBox( pmGroupBox,
text = "Display image",
widgetColumn = 0,
state = Qt.Unchecked,
setAsDefault = True,
spanWidth = True
)
self.imageDisplayFileChooser = \
PM_FileChooser(pmGroupBox,
label = 'Image file:',
text = '' ,
spanWidth = True,
filter = "PNG (*.png);;"\
"All Files (*.*)"
)
self.imageDisplayFileChooser.setEnabled(False)
# add change image properties button
BUTTON_LIST = [
("QToolButton", 1, "+90",
"ui/actions/Properties Manager/RotateImage+90.png", "+90", "", 0),
("QToolButton", 2, "-90",
"ui/actions/Properties Manager/RotateImage-90.png", "-90", "", 1),
("QToolButton", 3, "FLIP",
"ui/actions/Properties Manager/FlipImageVertical.png", "Flip", "",
2),
("QToolButton", 4, "MIRROR",
"ui/actions/Properties Manager/FlipImageHorizontal.png", "Mirror",
"", 3)
]
#image change button groupbox
self.pmGroupBox2 = PM_GroupBox(pmGroupBox, title="Modify Image")
self.imageChangeButtonGroup = \
PM_ToolButtonRow( self.pmGroupBox2,
title = "",
buttonList = BUTTON_LIST,
spanWidth = True,
isAutoRaise = False,
isCheckable = False,
setAsDefault = True,
)
self.imageChangeButtonGroup.buttonGroup.setExclusive(False)
self.plusNinetyButton = self.imageChangeButtonGroup.getButtonById(1)
self.minusNinetyButton = self.imageChangeButtonGroup.getButtonById(2)
self.flipButton = self.imageChangeButtonGroup.getButtonById(3)
self.mirrorButton = self.imageChangeButtonGroup.getButtonById(4)
# buttons enabled when a valid image is loaded
self.mirrorButton.setEnabled(False)
self.plusNinetyButton.setEnabled(False)
self.minusNinetyButton.setEnabled(False)
self.flipButton.setEnabled(False)
self.heightfieldDisplayCheckBox = \
PM_CheckBox( pmGroupBox,
text = "Create 3D relief",
widgetColumn = 0,
state = Qt.Unchecked,
setAsDefault = True,
spanWidth = True
)
self.heightfieldHQDisplayCheckBox = \
PM_CheckBox( pmGroupBox,
text = "High quality",
widgetColumn = 0,
state = Qt.Unchecked,
setAsDefault = True,
spanWidth = True
)
self.heightfieldTextureCheckBox = \
PM_CheckBox( pmGroupBox,
text = "Use texture",
widgetColumn = 0,
state = Qt.Checked,
setAsDefault = True,
spanWidth = True
)
self.vScaleSpinBox = \
PM_DoubleSpinBox(pmGroupBox,
label = " Vertical scale:",
value = 1.0,
setAsDefault = True,
minimum = -1000.0, # -1000 A
maximum = 1000.0, # 1000 A
singleStep = 0.1,
decimals = 1,
suffix = ' Angstroms')
self.heightfieldDisplayCheckBox.setEnabled(False)
self.heightfieldHQDisplayCheckBox.setEnabled(False)
self.heightfieldTextureCheckBox.setEnabled(False)
self.vScaleSpinBox.setEnabled(False)
def _loadGroupBox1(self, pmGroupBox):
"""
Load widgets in 1st group box.
@param pmGroupBox: The 1st group box in the PM.
@type pmGroupBox: L{PM_GroupBox}
"""
self.widthDblSpinBox = \
PM_DoubleSpinBox(pmGroupBox,
label = "Width:",
value = 16.0,
setAsDefault = True,
minimum = 1.0,
maximum = 10000.0, # 1000 nm
singleStep = 1.0,
decimals = 1,
suffix = ' Angstroms')
self.heightDblSpinBox = \
PM_DoubleSpinBox(pmGroupBox,
label =" Height:",
value = 16.0,
setAsDefault = True,
minimum = 1.0,
maximum = 10000.0, # 1000 nm
singleStep = 1.0,
decimals = 1,
suffix = ' Angstroms')
self.aspectRatioCheckBox = \
PM_CheckBox(pmGroupBox,
text = 'Maintain Aspect Ratio of:' ,
widgetColumn = 1,
state = Qt.Unchecked
)
self.aspectRatioSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "",
value = 1.0,
setAsDefault = True,
minimum = 0.1,
maximum = 10.0,
singleStep = 0.1,
decimals = 2,
suffix = " to 1.00")
if self.aspectRatioCheckBox.isChecked():
self.aspectRatioSpinBox.setEnabled(True)
else:
self.aspectRatioSpinBox.setEnabled(False)
def _addWhatsThisText(self):
"""
What's This text for some of the widgets in this Property Manager.
@note: Many PM widgets are still missing their "What's This" text.
"""
from ne1_ui.WhatsThisText_for_PropertyManagers import whatsThis_PlanePropertyManager
whatsThis_PlanePropertyManager(self)
def toggleFileChooserBehavior(self, checked):
"""
Enables FileChooser and displays image when checkbox is checked otherwise
not
"""
self.imageDisplayFileChooser.lineEdit.emit(SIGNAL("editingFinished()"))
if checked == Qt.Checked:
self.imageDisplayFileChooser.setEnabled(True)
elif checked == Qt.Unchecked:
self.imageDisplayFileChooser.setEnabled(False)
# if an image is already displayed, that's need to be hidden as well
else:
pass
self.command.struct.glpane.gl_update()
def toggleHeightfield(self, checked):
"""
Enables 3D relief drawing mode.
"""
if self.command and self.command.struct:
plane = self.command.struct
plane.display_heightfield = checked
if checked:
self.heightfieldHQDisplayCheckBox.setEnabled(True)
self.heightfieldTextureCheckBox.setEnabled(True)
self.vScaleSpinBox.setEnabled(True)
plane.computeHeightfield()
else:
self.heightfieldHQDisplayCheckBox.setEnabled(False)
self.heightfieldTextureCheckBox.setEnabled(False)
self.vScaleSpinBox.setEnabled(False)
plane.heightfield = None
plane.glpane.gl_update()
def toggleHeightfieldHQ(self, checked):
"""
Enables high quality rendering in 3D relief mode.
"""
if self.command and self.command.struct:
plane = self.command.struct
plane.heightfield_hq = checked
plane.computeHeightfield()
plane.glpane.gl_update()
def toggleTexture(self, checked):
"""
Enables texturing in 3D relief mode.
"""
if self.command and self.command.struct:
plane = self.command.struct
plane.heightfield_use_texture = checked
# It is not necessary to re-compute the heightfield coordinates
# at this point, they are re-computed whenever the "3D relief image"
# checkbox is set.
plane.glpane.gl_update()
def update_spinboxes(self):
"""
Update the width and height spinboxes.
@see: Plane.resizeGeometry()
This typically gets called when the plane is resized from the
3D workspace (which marks assy as modified) .So, update the spinboxes
that represent the Plane's width and height, but do no emit 'valueChanged'
signal when the spinbox value changes.
@see: Plane.resizeGeometry()
@see: self._update_UI_do_updates()
@see: Plane_EditCommand.command_update_internal_state()
"""
# blockSignals = True make sure that spinbox.valueChanged()
# signal is not emitted after calling spinbox.setValue(). This is done
#because the spinbox valu changes as a result of resizing the plane
#from the 3D workspace.
if self.command.hasValidStructure():
self.heightDblSpinBox.setValue(self.command.struct.height,
blockSignals=True)
self.widthDblSpinBox.setValue(self.command.struct.width,
blockSignals=True)
def update_imageFile(self):
"""
Loads image file if path is valid
"""
# Update buttons and checkboxes.
self.mirrorButton.setEnabled(False)
self.plusNinetyButton.setEnabled(False)
self.minusNinetyButton.setEnabled(False)
self.flipButton.setEnabled(False)
self.heightfieldDisplayCheckBox.setEnabled(False)
self.heightfieldHQDisplayCheckBox.setEnabled(False)
self.heightfieldTextureCheckBox.setEnabled(False)
self.vScaleSpinBox.setEnabled(False)
plane = self.command.struct
# Delete current image and heightfield
plane.deleteImage()
plane.heightfield = None
plane.display_image = self.imageDisplayCheckBox.isChecked()
if plane.display_image:
imageFile = str(self.imageDisplayFileChooser.lineEdit.text())
from model.Plane import checkIfValidImagePath
validPath = checkIfValidImagePath(imageFile)
if validPath:
from PIL import Image
# Load image from file
plane.image = Image.open(imageFile)
plane.loadImage(imageFile)
# Compute the relief image
plane.computeHeightfield()
if plane.image:
self.mirrorButton.setEnabled(True)
self.plusNinetyButton.setEnabled(True)
self.minusNinetyButton.setEnabled(True)
self.flipButton.setEnabled(True)
self.heightfieldDisplayCheckBox.setEnabled(True)
if plane.display_heightfield:
self.heightfieldHQDisplayCheckBox.setEnabled(True)
self.heightfieldTextureCheckBox.setEnabled(True)
self.vScaleSpinBox.setEnabled(True)
def show(self):
"""
Show the Plane Property Manager.
"""
EditCommand_PM.show(self)
#It turns out that if updateCosmeticProps is called before
#EditCommand_PM.show, the 'preview' properties are not updated
#when you are editing an existing plane. Don't know the cause at this
#time, issue is trivial. So calling it in the end -- Ninad 2007-10-03
if self.command.struct:
plane = self.command.struct
plane.updateCosmeticProps(previewing=True)
if plane.imagePath:
self.imageDisplayFileChooser.setText(plane.imagePath)
self.imageDisplayCheckBox.setChecked(plane.display_image)
#Make sure that the plane placement option is always set to
#'Custom' when the Plane PM is shown. This makes sure that bugs like
#2949 won't occur. Let the user change the plane placement option
#explicitely
button = self.pmPlacementOptions.getButtonById(3)
button.setChecked(True)
def setParameters(self, params):
"""
"""
width, height, gridColor, gridLineType, \
gridXSpacing, gridYSpacing, originLocation, \
displayLabelStyle = params
# blockSignals = True flag makes sure that the
# spinbox.valueChanged()
# signal is not emitted after calling spinbox.setValue().
self.widthDblSpinBox.setValue(width, blockSignals=True)
self.heightDblSpinBox.setValue(height, blockSignals=True)
self.win.glpane.gl_update()
self.gpColorTypeComboBox.setColor(gridColor)
self.gridLineType = gridLineType
self.gpXSpacingDoubleSpinBox.setValue(gridXSpacing)
self.gpYSpacingDoubleSpinBox.setValue(gridYSpacing)
self.gpOriginComboBox.setCurrentIndex(originLocation)
self.gpPositionComboBox.setCurrentIndex(displayLabelStyle)
def getCurrrentDisplayParams(self):
"""
Returns a tuple containing current display parameters such as current
image path and grid display params.
@see: Plane_EditCommand.command_update_internal_state() which uses this
to decide whether to modify the structure (e.g. because of change in the
image path or display parameters.)
"""
imagePath = self.imageDisplayFileChooser.text
gridColor = self.gpColorTypeComboBox.getColor()
return (imagePath, gridColor, self.gridLineType, self.gridXSpacing,
self.gridYSpacing, self.originLocation, self.displayLabelStyle)
def getParameters(self):
"""
"""
width = self.widthDblSpinBox.value()
height = self.heightDblSpinBox.value()
gridColor = self.gpColorTypeComboBox.getColor()
params = (width, height, gridColor, self.gridLineType,
self.gridXSpacing, self.gridYSpacing, self.originLocation,
self.displayLabelStyle)
return params
def change_plane_width(self, newWidth):
"""
Slot for width spinbox in the Property Manager.
@param newWidth: width in Angstroms.
@type newWidth: float
"""
if self.aspectRatioCheckBox.isChecked():
self.command.struct.width = newWidth
self.command.struct.height = self.command.struct.width / \
self.aspectRatioSpinBox.value()
self.update_spinboxes()
else:
self.change_plane_size()
self._updateAspectRatio()
def change_plane_height(self, newHeight):
"""
Slot for height spinbox in the Property Manager.
@param newHeight: height in Angstroms.
@type newHeight: float
"""
if self.aspectRatioCheckBox.isChecked():
self.command.struct.height = newHeight
self.command.struct.width = self.command.struct.height * \
self.aspectRatioSpinBox.value()
self.update_spinboxes()
else:
self.change_plane_size()
self._updateAspectRatio()
def change_plane_size(self, gl_update=True):
"""
Slot to change the Plane's width and height.
@param gl_update: Forces an update of the glpane.
@type gl_update: bool
"""
self.command.struct.width = self.widthDblSpinBox.value()
self.command.struct.height = self.heightDblSpinBox.value()
if gl_update:
self.command.struct.glpane.gl_update()
def change_vertical_scale(self, scale):
"""
Changes vertical scaling of the heightfield.
"""
if self.command and self.command.struct:
plane = self.command.struct
plane.heightfield_scale = scale
plane.computeHeightfield()
plane.glpane.gl_update()
def changePlanePlacement(self, buttonId):
"""
Slot to change the placement of the plane depending upon the
option checked in the "Placement Options" group box of the PM.
@param buttonId: The button id of the selected radio button (option).
@type buttonId: int
"""
if buttonId == 0:
msg = "Create a Plane parallel to the screen. "\
"With <b>Parallel to Screen</b> plane placement option, the "\
"center of the plane is always (0,0,0)"
self.updateMessage(msg)
self.command.placePlaneParallelToScreen()
elif buttonId == 1:
msg = "Create a Plane with center coinciding with the common center "\
"of <b> 3 or more selected atoms </b>. If exactly 3 atoms are "\
"selected, the Plane will pass through those atoms."
self.updateMessage(msg)
self.command.placePlaneThroughAtoms()
if self.command.logMessage:
env.history.message(self.command.logMessage)
elif buttonId == 2:
msg = "Create a Plane at an <b>offset</b> to the selected plane "\
"indicated by the direction arrow. "\
"you can click on the direction arrow to reverse its direction."
self.updateMessage(msg)
self.command.placePlaneOffsetToAnother()
if self.command.logMessage:
env.history.message(self.command.logMessage)
elif buttonId == 3:
#'Custom' plane placement. Do nothing (only update message box)
# Fixes bug 2439
msg = "Create a plane with a <b>Custom</b> plane placement. "\
"The plane is placed parallel to the screen, with "\
"center at (0, 0, 0). User can then modify the plane placement."
self.updateMessage(msg)
def _enableAspectRatioSpinBox(self, enable):
"""
Slot for "Maintain Aspect Ratio" checkbox which enables or disables
the Aspect Ratio spin box.
@param enable: True = enable, False = disable.
@type enable: bool
"""
self.aspectRatioSpinBox.setEnabled(enable)
def _updateAspectRatio(self):
"""
Updates the Aspect Ratio spin box based on the current width and height.
"""
aspectRatio = self.command.struct.width / self.command.struct.height
self.aspectRatioSpinBox.setValue(aspectRatio)
def _update_UI_do_updates(self):
"""
Overrides superclass method.
@see: Command_PropertyManager._update_UI_do_updates() for documentation.
@see: Plane.resizeGeometry()
@see: self.update_spinboxes()
@see: Plane_EditCommand.command_update_internal_state()
"""
#This typically gets called when the plane is resized from the
#3D workspace (which marks assy as modified) . So, update the spinboxes
#that represent the Plane's width and height.
self.update_spinboxes()
def update_props_if_needed_before_closing(self):
"""
This updates some cosmetic properties of the Plane (e.g. fill color,
border color, etc.) before closing the Property Manager.
"""
# Example: The Plane Property Manager is open and the user is
# 'previewing' the plane. Now the user clicks on "Build > Atoms"
# to invoke the next command (without clicking "Done").
# This calls openPropertyManager() which replaces the current PM
# with the Build Atoms PM. Thus, it creates and inserts the Plane
# that was being previewed. Before the plane is permanently inserted
# into the part, it needs to change some of its cosmetic properties
# (e.g. fill color, border color, etc.) which distinguishes it as
# a new plane in the part. This function changes those properties.
# ninad 2007-06-13
#called in updatePropertyManager in MWsemeantics.py --(Partwindow class)
EditCommand_PM.update_props_if_needed_before_closing(self)
#Don't draw the direction arrow when the object is finalized.
if self.command.struct and \
self.command.struct.offsetParentGeometry:
dirArrow = self.command.struct.offsetParentGeometry.directionArrow
dirArrow.setDrawRequested(False)
def updateMessage(self, msg=''):
"""
Updates the message box with an informative message
@param message: Message to be displayed in the Message groupbox of
the property manager
@type message: string
"""
self.MessageGroupBox.insertHtmlMessage(msg,
setAsDefault=False,
minLines=5)
def rotate_90(self):
"""
Rotate the image clockwise.
"""
if self.command.hasValidStructure():
self.command.struct.rotateImage(0)
return
def rotate_neg_90(self):
"""
Rotate the image counterclockwise.
"""
if self.command.hasValidStructure():
self.command.struct.rotateImage(1)
return
def flip_image(self):
"""
Flip the image horizontally.
"""
if self.command.hasValidStructure():
self.command.struct.mirrorImage(1)
return
def mirror_image(self):
"""
Flip the image vertically.
"""
if self.command.hasValidStructure():
self.command.struct.mirrorImage(0)
return
class PeptideGeneratorPropertyManager(PM_Dialog):
"""
The PeptideGeneratorPropertyManager class provides a Property Manager
for the "Build > Peptide" command.
"""
# The title that appears in the property manager header.
title = "Peptide Generator"
# The name of this property manager. This will be set to
# the name of the PropMgr (this) object via setObjectName().
pmName = title
# The relative path to PNG file that appears in the header.
iconPath = "ui/actions/Tools/Build Structures/Peptide.png"
def __init__(self):
"""Construct the Peptide Property Manager.
"""
PM_Dialog.__init__(self, self.pmName, self.iconPath, self.title)
# phi psi angles will define the secondary structure of the peptide chain
self.phi = -57.0
self.psi = -47.0
self.chirality = 1
self.ss_idx = 1
self.peptide_cache = []
self.updateMessageGroupBox()
def updateMessageGroupBox(self):
msg = ""
msg = msg + "Click on the Amino Acid buttons to add a new residuum to\
the polypeptide chain. Click <b>Done</b> to insert it into the project."
# This causes the "Message" box to be displayed as well.
# setAsDefault=True causes this message to be reset whenever
# this PropMgr is (re)displayed via show(). Mark 2007-06-01.
self.MessageGroupBox.insertHtmlMessage(msg, setAsDefault=True)
def _addGroupBoxes(self):
"""
Add the group boxe to the Peptide Property Manager dialog.
"""
self.pmGroupBox1 = \
PM_GroupBox( self,
title = "Peptide Parameters" )
# Add group box widgets.
self._loadGroupBox1(self.pmGroupBox1)
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)
def _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
from ne1_ui.WhatsThisText_for_PropertyManagers import whatsThis_PeptideGeneratorPropertyManager
whatsThis_PeptideGeneratorPropertyManager(self)
def _addToolTipText(self):
"""
Tool Tip text for widgets in this Property Manager.
"""
from ne1_ui.ToolTipText_for_PropertyManagers import ToolTip_PeptideGeneratorPropertyManager
ToolTip_PeptideGeneratorPropertyManager(self)
def _aaChiralityChanged(self):
"""
Set chirality of the peptide chain.
"""
self.psi *= -1
self.phi *= -1
self.phiAngleField.setValue(self.phi)
self.psiAngleField.setValue(self.psi)
def _aaTypeChanged(self, idx):
"""
Slot for Peptide Structure Type combobox.
Changes phi/psi angles for secondary structure.
"""
self.ss_idx = idx
if idx == 0:
self.phiAngleField.setEnabled(True)
self.psiAngleField.setEnabled(True)
else:
self.phiAngleField.setEnabled(False)
self.psiAngleField.setEnabled(False)
if idx == 1: # alpha helix
self.phi = -57.0
self.psi = -47.0
elif idx == 2: # beta strand
self.phi = -135.0
self.psi = 135.0
elif idx == 3: # 3-10 helix
self.phi = -55.0
self.psi = -70.0
elif idx == 4: # pi helix
self.phi = -49.0
self.psi = -26.0
elif idx == 5: # polyprolin-II
self.phi = -75.0
self.psi = 150.0
elif idx == 6: # fully extended
self.phi = -180.0
self.psi = 180.0
else:
self.phi = self.phiAngleField.value()
self.psi = self.psiAngleField.value()
self.phi *= self.chirality
self.psi *= self.chirality
self.phiAngleField.setValue(self.phi)
self.psiAngleField.setValue(self.psi)
pass
def _aaPhiAngleChanged(self, phi):
self.phi = self.phiAngleField.value()
pass
def _aaPsiAngleChanged(self, psi):
self.psi = self.psiAngleField.value()
pass
def _setAminoAcidType(self, aaTypeIndex):
"""
Adds a new amino acid to the peptide molecule.
"""
button, idx, short_name, dum, name, symbol, x, y = AA_BUTTON_LIST[aaTypeIndex]
if self.ss_idx==1:
aa_txt = "<font color=red>"
elif self.ss_idx==2:
aa_txt = "<font color=blue>"
elif self.ss_idx==3:
aa_txt = "<font color=green>"
elif self.ss_idx==4:
aa_txt = "<font color=orange>"
elif self.ss_idx==5:
aa_txt = "<font color=magenta>"
elif self.ss_idx==6:
aa_txt = "<font color=darkblue>"
else:
aa_txt = "<font color=black>"
aa_txt += symbol+"</font>"
self.sequenceEditor.insertHtml(aa_txt, False, 4, 10, False)
self.addAminoAcid(aaTypeIndex)
pass
def _startOverClicked(self):
"""
Resets a sequence in the sequence editor window.
"""
self.sequenceEditor.clear()
self.peptide_cache = []
pass
class PlanePropertyManager(EditCommand_PM):
"""
The PlanePropertyManager class provides a Property Manager for a
(reference) Plane.
"""
# The title that appears in the Property Manager header.
title = "Plane"
# The name of this Property Manager. This will be set to
# the name of the PM_Dialog object via setObjectName().
pmName = title
# The relative path to the PNG file that appears in the header
iconPath = "ui/actions/Insert/Reference Geometry/Plane.png"
def __init__(self, command):
"""
Construct the Plane Property Manager.
@param plane: The plane.
@type plane: L{Plane}
"""
#see self.connect_or_disconnect_signals for comment about this flag
self.isAlreadyConnected = False
self.isAlreadyDisconnected = False
self.gridColor = black
self.gridXSpacing = 4.0
self.gridYSpacing = 4.0
self.gridLineType = 3
self.displayLabels = False
self.originLocation = PLANE_ORIGIN_LOWER_LEFT
self.displayLabelStyle = LABELS_ALONG_ORIGIN
EditCommand_PM.__init__( self, command)
# Hide Preview and Restore defaults buttons
self.hideTopRowButtons(PM_RESTORE_DEFAULTS_BUTTON)
def _addGroupBoxes(self):
"""
Add the 1st group box to the Property Manager.
"""
# Placement Options radio button list to create radio button list.
# Format: buttonId, buttonText, tooltip
PLACEMENT_OPTIONS_BUTTON_LIST = [ \
( 0, "Parallel to screen", "Parallel to screen" ),
( 1, "Through selected atoms", "Through selected atoms" ),
( 2, "Offset to a plane", "Offset to a plane" ),
( 3, "Custom", "Custom" )
]
self.pmPlacementOptions = \
PM_RadioButtonList( self,
title = "Placement Options",
buttonList = PLACEMENT_OPTIONS_BUTTON_LIST,
checkedId = 3 )
self.pmGroupBox1 = PM_GroupBox(self, title = "Parameters")
self._loadGroupBox1(self.pmGroupBox1)
#image groupbox
self.pmGroupBox2 = PM_GroupBox(self, title = "Image")
self._loadGroupBox2(self.pmGroupBox2)
#grid plane groupbox
self.pmGroupBox3 = PM_GroupBox(self, title = "Grid")
self._loadGroupBox3(self.pmGroupBox3)
def _loadGroupBox3(self, pmGroupBox):
"""
Load widgets in the grid plane group box.
@param pmGroupBox: The grid group box in the PM.
@type pmGroupBox: L{PM_GroupBox}
"""
self.gridPlaneCheckBox = \
PM_CheckBox( pmGroupBox,
text = "Show grid",
widgetColumn = 0,
setAsDefault = True,
spanWidth = True
)
connect_checkbox_with_boolean_pref(
self.gridPlaneCheckBox ,
PlanePM_showGrid_prefs_key)
self.gpXSpacingDoubleSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "X Spacing:",
value = 4.000,
setAsDefault = True,
minimum = 1.00,
maximum = 200.0,
decimals = 3,
singleStep = 1.0,
spanWidth = False)
self.gpYSpacingDoubleSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "Y Spacing:",
value = 4.000,
setAsDefault = True,
minimum = 1.00,
maximum = 200.0,
decimals = 3,
singleStep = 1.0,
spanWidth = False)
lineTypeChoices = [ 'Dotted (default)',
'Dashed',
'Solid' ]
self.gpLineTypeComboBox = \
PM_ComboBox( pmGroupBox ,
label = "Line type:",
choices = lineTypeChoices,
setAsDefault = True)
hhColorList = [ black, orange, red, magenta,
cyan, blue, white, yellow, gray ]
hhColorNames = [ "Black (default)", "Orange", "Red", "Magenta",
"Cyan", "Blue", "White", "Yellow", "Other color..." ]
self.gpColorTypeComboBox = \
PM_ColorComboBox( pmGroupBox,
colorList = hhColorList,
colorNames = hhColorNames,
color = black )
self.pmGroupBox5 = PM_GroupBox( pmGroupBox )
self.gpDisplayLabels =\
PM_CheckBox( self.pmGroupBox5,
text = "Display labels",
widgetColumn = 0,
state = Qt.Unchecked,
setAsDefault = True,
spanWidth = True )
originChoices = [ 'Lower left (default)',
'Upper left',
'Lower right',
'Upper right' ]
self.gpOriginComboBox = \
PM_ComboBox( self.pmGroupBox5 ,
label = "Origin:",
choices = originChoices,
setAsDefault = True )
positionChoices = [ 'Origin axes (default)',
'Plane perimeter' ]
self.gpPositionComboBox = \
PM_ComboBox( self.pmGroupBox5 ,
label = "Position:",
choices = positionChoices,
setAsDefault = True)
self._showHideGPWidgets()
if env.prefs[PlanePM_showGridLabels_prefs_key]:
self.displayLabels = True
self.gpOriginComboBox.setEnabled( True )
self.gpPositionComboBox.setEnabled( True )
else:
self.displayLabels = False
self.gpOriginComboBox.setEnabled( False )
self.gpPositionComboBox.setEnabled( False )
return
def connect_or_disconnect_signals(self, isConnect):
"""
Connect or disconnect widget signals sent to their slot methods.
This can be overridden in subclasses. By default it does nothing.
@param isConnect: If True the widget will send the signals to the slot
method.
@type isConnect: boolean
"""
#TODO: Fix for bug: When you invoke a temporary mode
# entering such a temporary mode keeps the signals of
#PM from the previous mode connected (
#but while exiting that temporary mode and reentering the
#previous mode, it actually reconnects the signal! This gives rise to
#lots of bugs. This needs more general fix in Temporary mode API.
# -- Ninad 2008-01-09 (similar comment exists in MovePropertyManager.py
#UPDATE: (comment copied and modifief from BuildNanotube_PropertyManager.
#The general problem still remains -- Ninad 2008-06-25
if isConnect and self.isAlreadyConnected:
if debug_flags.atom_debug:
print_compact_stack("warning: attempt to connect widgets"\
"in this PM that are already connected." )
return
if not isConnect and self.isAlreadyDisconnected:
if debug_flags.atom_debug:
print_compact_stack("warning: attempt to disconnect widgets"\
"in this PM that are already disconnected.")
return
self.isAlreadyConnected = isConnect
self.isAlreadyDisconnected = not isConnect
if isConnect:
change_connect = self.win.connect
else:
change_connect = self.win.disconnect
change_connect(self.pmPlacementOptions.buttonGroup,
SIGNAL("buttonClicked(int)"),
self.changePlanePlacement)
change_connect(self.widthDblSpinBox,
SIGNAL("valueChanged(double)"),
self.change_plane_width)
change_connect(self.heightDblSpinBox,
SIGNAL("valueChanged(double)"),
self.change_plane_height)
change_connect(self.aspectRatioCheckBox,
SIGNAL("stateChanged(int)"),
self._enableAspectRatioSpinBox)
#signal slot connection for imageDisplayCheckBox
change_connect(self.imageDisplayCheckBox,
SIGNAL("stateChanged(int)"),
self.toggleFileChooserBehavior)
#signal slot connection for imageDisplayFileChooser
change_connect(self.imageDisplayFileChooser.lineEdit,
SIGNAL("editingFinished()"),
self.update_imageFile)
#signal slot connection for heightfieldDisplayCheckBox
change_connect(self.heightfieldDisplayCheckBox,
SIGNAL("stateChanged(int)"),
self.toggleHeightfield)
#signal slot connection for heightfieldHQDisplayCheckBox
change_connect(self.heightfieldHQDisplayCheckBox,
SIGNAL("stateChanged(int)"),
self.toggleHeightfieldHQ)
#signal slot connection for heightfieldTextureCheckBox
change_connect(self.heightfieldTextureCheckBox,
SIGNAL("stateChanged(int)"),
self.toggleTexture)
#signal slot connection for vScaleSpinBox
change_connect(self.vScaleSpinBox,
SIGNAL("valueChanged(double)"),
self.change_vertical_scale)
change_connect(self.plusNinetyButton,
SIGNAL("clicked()"),
self.rotate_90)
change_connect(self.minusNinetyButton,
SIGNAL("clicked()"),
self.rotate_neg_90)
change_connect(self.flipButton,
SIGNAL("clicked()"),
self.flip_image)
change_connect(self.mirrorButton,
SIGNAL("clicked()"),
self.mirror_image)
change_connect(self.gridPlaneCheckBox,
SIGNAL("stateChanged(int)"),
self.displayGridPlane)
change_connect(self.gpXSpacingDoubleSpinBox,
SIGNAL("valueChanged(double)"),
self.changeXSpacingInGP)
change_connect(self.gpYSpacingDoubleSpinBox,
SIGNAL("valueChanged(double)"),
self.changeYSpacingInGP)
change_connect( self.gpLineTypeComboBox,
SIGNAL("currentIndexChanged(int)"),
self.changeLineTypeInGP )
change_connect( self.gpColorTypeComboBox,
SIGNAL("editingFinished()"),
self.changeColorTypeInGP )
change_connect( self.gpDisplayLabels,
SIGNAL("stateChanged(int)"),
self.displayLabelsInGP )
change_connect( self.gpOriginComboBox,
SIGNAL("currentIndexChanged(int)"),
self.changeOriginInGP )
change_connect( self.gpPositionComboBox,
SIGNAL("currentIndexChanged(int)"),
self.changePositionInGP )
self._connect_checkboxes_to_global_prefs_keys()
return
def _connect_checkboxes_to_global_prefs_keys(self):
"""
"""
connect_checkbox_with_boolean_pref(
self.gridPlaneCheckBox ,
PlanePM_showGrid_prefs_key)
connect_checkbox_with_boolean_pref(
self.gpDisplayLabels,
PlanePM_showGridLabels_prefs_key)
def changePositionInGP(self, idx):
"""
Change Display of origin Labels (choices are along origin edges or along
the plane perimeter.
@param idx: Current index of the change grid label position combo box
@type idx: int
"""
if idx == 0:
self.displayLabelStyle = LABELS_ALONG_ORIGIN
elif idx == 1:
self.displayLabelStyle = LABELS_ALONG_PLANE_EDGES
else:
print "Invalid index", idx
return
def changeOriginInGP(self, idx):
"""
Change Display of origin Labels based on the location of the origin
@param idx: Current index of the change origin position combo box
@type idx: int
"""
if idx == 0:
self.originLocation = PLANE_ORIGIN_LOWER_LEFT
elif idx ==1:
self.originLocation = PLANE_ORIGIN_UPPER_LEFT
elif idx == 2:
self.originLocation = PLANE_ORIGIN_LOWER_RIGHT
elif idx == 3:
self.originLocation = PLANE_ORIGIN_UPPER_RIGHT
else:
print "Invalid index", idx
return
def displayLabelsInGP(self, state):
"""
Choose to show or hide grid labels
@param state: State of the Display Label Checkbox
@type state: boolean
"""
if env.prefs[PlanePM_showGridLabels_prefs_key]:
self.gpOriginComboBox.setEnabled(True)
self.gpPositionComboBox.setEnabled(True)
self.displayLabels = True
self.originLocation = PLANE_ORIGIN_LOWER_LEFT
self.displayLabelStyle = LABELS_ALONG_ORIGIN
else:
self.gpOriginComboBox.setEnabled(False)
self.gpPositionComboBox.setEnabled(False)
self.displayLabels = False
return
def changeColorTypeInGP(self):
"""
Change Color of grid
"""
self.gridColor = self.gpColorTypeComboBox.getColor()
return
def changeLineTypeInGP(self, idx):
"""
Change line type in grid
@param idx: Current index of the Line type combo box
@type idx: int
"""
#line_type for actually drawing the grid is: 0=None, 1=Solid, 2=Dashed" or 3=Dotted
if idx == 0:
self.gridLineType = 3
if idx == 1:
self.gridLineType = 2
if idx == 2:
self.gridLineType = 1
return
def changeYSpacingInGP(self, val):
"""
Change Y spacing on the grid
@param val:value of Y spacing
@type val: double
"""
self.gridYSpacing = float(val)
return
def changeXSpacingInGP(self, val):
"""
Change X spacing on the grid
@param val:value of X spacing
@type val: double
"""
self.gridXSpacing = float(val)
return
def displayGridPlane(self, state):
"""
Display or hide grid based on the state of the checkbox
@param state: State of the Display Label Checkbox
@type state: boolean
"""
self._showHideGPWidgets()
if self.gridPlaneCheckBox.isChecked():
env.prefs[PlanePM_showGrid_prefs_key] = True
self._makeGridPlane()
else:
env.prefs[PlanePM_showGrid_prefs_key] = False
return
def _makeGridPlane(self):
"""
Show grid on the plane
"""
#get all the grid related values in here
self.gridXSpacing = float(self.gpXSpacingDoubleSpinBox.value())
self.gridYSpacing = float(self.gpYSpacingDoubleSpinBox.value())
#line_type for actually drawing the grid is: 0=None, 1=Solid, 2=Dashed" or 3=Dotted
idx = self.gpLineTypeComboBox.currentIndex()
self.changeLineTypeInGP(idx)
self.gridColor = self.gpColorTypeComboBox.getColor()
return
def _showHideGPWidgets(self):
"""
Enable Disable grid related widgets based on the state of the show grid
checkbox.
"""
if self.gridPlaneCheckBox.isChecked():
self.gpXSpacingDoubleSpinBox.setEnabled(True)
self.gpYSpacingDoubleSpinBox.setEnabled(True)
self.gpLineTypeComboBox.setEnabled(True)
self.gpColorTypeComboBox.setEnabled(True)
self.gpDisplayLabels.setEnabled(True)
else:
self.gpXSpacingDoubleSpinBox.setEnabled(False)
self.gpXSpacingDoubleSpinBox.setEnabled(False)
self.gpYSpacingDoubleSpinBox.setEnabled(False)
self.gpLineTypeComboBox.setEnabled(False)
self.gpColorTypeComboBox.setEnabled(False)
self.gpDisplayLabels.setEnabled(False)
return
def _loadGroupBox2(self, pmGroupBox):
"""
Load widgets in the image group box.
@param pmGroupBox: The image group box in the PM.
@type pmGroupBox: L{PM_GroupBox}
"""
self.imageDisplayCheckBox = \
PM_CheckBox( pmGroupBox,
text = "Display image",
widgetColumn = 0,
state = Qt.Unchecked,
setAsDefault = True,
spanWidth = True
)
self.imageDisplayFileChooser = \
PM_FileChooser(pmGroupBox,
label = 'Image file:',
text = '' ,
spanWidth = True,
filter = "PNG (*.png);;"\
"All Files (*.*)"
)
self.imageDisplayFileChooser.setEnabled(False)
# add change image properties button
BUTTON_LIST = [
( "QToolButton", 1, "+90",
"ui/actions/Properties Manager/RotateImage+90.png",
"+90", "", 0),
( "QToolButton", 2, "-90",
"ui/actions/Properties Manager/RotateImage-90.png",
"-90", "", 1),
( "QToolButton", 3, "FLIP",
"ui/actions/Properties Manager/FlipImageVertical.png",
"Flip", "", 2),
( "QToolButton", 4, "MIRROR",
"ui/actions/Properties Manager/FlipImageHorizontal.png",
"Mirror", "", 3)
]
#image change button groupbox
self.pmGroupBox2 = PM_GroupBox(pmGroupBox, title = "Modify Image")
self.imageChangeButtonGroup = \
PM_ToolButtonRow( self.pmGroupBox2,
title = "",
buttonList = BUTTON_LIST,
spanWidth = True,
isAutoRaise = False,
isCheckable = False,
setAsDefault = True,
)
self.imageChangeButtonGroup.buttonGroup.setExclusive(False)
self.plusNinetyButton = self.imageChangeButtonGroup.getButtonById(1)
self.minusNinetyButton = self.imageChangeButtonGroup.getButtonById(2)
self.flipButton = self.imageChangeButtonGroup.getButtonById(3)
self.mirrorButton = self.imageChangeButtonGroup.getButtonById(4)
# buttons enabled when a valid image is loaded
self.mirrorButton.setEnabled(False)
self.plusNinetyButton.setEnabled(False)
self.minusNinetyButton.setEnabled(False)
self.flipButton.setEnabled(False)
self.heightfieldDisplayCheckBox = \
PM_CheckBox( pmGroupBox,
text = "Create 3D relief",
widgetColumn = 0,
state = Qt.Unchecked,
setAsDefault = True,
spanWidth = True
)
self.heightfieldHQDisplayCheckBox = \
PM_CheckBox( pmGroupBox,
text = "High quality",
widgetColumn = 0,
state = Qt.Unchecked,
setAsDefault = True,
spanWidth = True
)
self.heightfieldTextureCheckBox = \
PM_CheckBox( pmGroupBox,
text = "Use texture",
widgetColumn = 0,
state = Qt.Checked,
setAsDefault = True,
spanWidth = True
)
self.vScaleSpinBox = \
PM_DoubleSpinBox(pmGroupBox,
label = " Vertical scale:",
value = 1.0,
setAsDefault = True,
minimum = -1000.0, # -1000 A
maximum = 1000.0, # 1000 A
singleStep = 0.1,
decimals = 1,
suffix = ' Angstroms')
self.heightfieldDisplayCheckBox.setEnabled(False)
self.heightfieldHQDisplayCheckBox.setEnabled(False)
self.heightfieldTextureCheckBox.setEnabled(False)
self.vScaleSpinBox.setEnabled(False)
def _loadGroupBox1(self, pmGroupBox):
"""
Load widgets in 1st group box.
@param pmGroupBox: The 1st group box in the PM.
@type pmGroupBox: L{PM_GroupBox}
"""
self.widthDblSpinBox = \
PM_DoubleSpinBox(pmGroupBox,
label = "Width:",
value = 16.0,
setAsDefault = True,
minimum = 1.0,
maximum = 10000.0, # 1000 nm
singleStep = 1.0,
decimals = 1,
suffix = ' Angstroms')
self.heightDblSpinBox = \
PM_DoubleSpinBox(pmGroupBox,
label =" Height:",
value = 16.0,
setAsDefault = True,
minimum = 1.0,
maximum = 10000.0, # 1000 nm
singleStep = 1.0,
decimals = 1,
suffix = ' Angstroms')
self.aspectRatioCheckBox = \
PM_CheckBox(pmGroupBox,
text = 'Maintain Aspect Ratio of:' ,
widgetColumn = 1,
state = Qt.Unchecked
)
self.aspectRatioSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "",
value = 1.0,
setAsDefault = True,
minimum = 0.1,
maximum = 10.0,
singleStep = 0.1,
decimals = 2,
suffix = " to 1.00")
if self.aspectRatioCheckBox.isChecked():
self.aspectRatioSpinBox.setEnabled(True)
else:
self.aspectRatioSpinBox.setEnabled(False)
def _addWhatsThisText(self):
"""
What's This text for some of the widgets in this Property Manager.
@note: Many PM widgets are still missing their "What's This" text.
"""
from ne1_ui.WhatsThisText_for_PropertyManagers import whatsThis_PlanePropertyManager
whatsThis_PlanePropertyManager(self)
def toggleFileChooserBehavior(self, checked):
"""
Enables FileChooser and displays image when checkbox is checked otherwise
not
"""
self.imageDisplayFileChooser.lineEdit.emit(SIGNAL("editingFinished()"))
if checked == Qt.Checked:
self.imageDisplayFileChooser.setEnabled(True)
elif checked == Qt.Unchecked:
self.imageDisplayFileChooser.setEnabled(False)
# if an image is already displayed, that's need to be hidden as well
else:
pass
self.command.struct.glpane.gl_update()
def toggleHeightfield(self, checked):
"""
Enables 3D relief drawing mode.
"""
if self.command and self.command.struct:
plane = self.command.struct
plane.display_heightfield = checked
if checked:
self.heightfieldHQDisplayCheckBox.setEnabled(True)
self.heightfieldTextureCheckBox.setEnabled(True)
self.vScaleSpinBox.setEnabled(True)
plane.computeHeightfield()
else:
self.heightfieldHQDisplayCheckBox.setEnabled(False)
self.heightfieldTextureCheckBox.setEnabled(False)
self.vScaleSpinBox.setEnabled(False)
plane.heightfield = None
plane.glpane.gl_update()
def toggleHeightfieldHQ(self, checked):
"""
Enables high quality rendering in 3D relief mode.
"""
if self.command and self.command.struct:
plane = self.command.struct
plane.heightfield_hq = checked
plane.computeHeightfield()
plane.glpane.gl_update()
def toggleTexture(self, checked):
"""
Enables texturing in 3D relief mode.
"""
if self.command and self.command.struct:
plane = self.command.struct
plane.heightfield_use_texture = checked
# It is not necessary to re-compute the heightfield coordinates
# at this point, they are re-computed whenever the "3D relief image"
# checkbox is set.
plane.glpane.gl_update()
def update_spinboxes(self):
"""
Update the width and height spinboxes.
@see: Plane.resizeGeometry()
This typically gets called when the plane is resized from the
3D workspace (which marks assy as modified) .So, update the spinboxes
that represent the Plane's width and height, but do no emit 'valueChanged'
signal when the spinbox value changes.
@see: Plane.resizeGeometry()
@see: self._update_UI_do_updates()
@see: Plane_EditCommand.command_update_internal_state()
"""
# blockSignals = True make sure that spinbox.valueChanged()
# signal is not emitted after calling spinbox.setValue(). This is done
#because the spinbox valu changes as a result of resizing the plane
#from the 3D workspace.
if self.command.hasValidStructure():
self.heightDblSpinBox.setValue(self.command.struct.height,
blockSignals = True)
self.widthDblSpinBox.setValue(self.command.struct.width,
blockSignals = True)
def update_imageFile(self):
"""
Loads image file if path is valid
"""
# Update buttons and checkboxes.
self.mirrorButton.setEnabled(False)
self.plusNinetyButton.setEnabled(False)
self.minusNinetyButton.setEnabled(False)
self.flipButton.setEnabled(False)
self.heightfieldDisplayCheckBox.setEnabled(False)
self.heightfieldHQDisplayCheckBox.setEnabled(False)
self.heightfieldTextureCheckBox.setEnabled(False)
self.vScaleSpinBox.setEnabled(False)
plane = self.command.struct
# Delete current image and heightfield
plane.deleteImage()
plane.heightfield = None
plane.display_image = self.imageDisplayCheckBox.isChecked()
if plane.display_image:
imageFile = str(self.imageDisplayFileChooser.lineEdit.text())
from model.Plane import checkIfValidImagePath
validPath = checkIfValidImagePath(imageFile)
if validPath:
from PIL import Image
# Load image from file
plane.image = Image.open(imageFile)
plane.loadImage(imageFile)
# Compute the relief image
plane.computeHeightfield()
if plane.image:
self.mirrorButton.setEnabled(True)
self.plusNinetyButton.setEnabled(True)
self.minusNinetyButton.setEnabled(True)
self.flipButton.setEnabled(True)
self.heightfieldDisplayCheckBox.setEnabled(True)
if plane.display_heightfield:
self.heightfieldHQDisplayCheckBox.setEnabled(True)
self.heightfieldTextureCheckBox.setEnabled(True)
self.vScaleSpinBox.setEnabled(True)
def show(self):
"""
Show the Plane Property Manager.
"""
EditCommand_PM.show(self)
#It turns out that if updateCosmeticProps is called before
#EditCommand_PM.show, the 'preview' properties are not updated
#when you are editing an existing plane. Don't know the cause at this
#time, issue is trivial. So calling it in the end -- Ninad 2007-10-03
if self.command.struct:
plane = self.command.struct
plane.updateCosmeticProps(previewing = True)
if plane.imagePath:
self.imageDisplayFileChooser.setText(plane.imagePath)
self.imageDisplayCheckBox.setChecked(plane.display_image)
#Make sure that the plane placement option is always set to
#'Custom' when the Plane PM is shown. This makes sure that bugs like
#2949 won't occur. Let the user change the plane placement option
#explicitely
button = self.pmPlacementOptions.getButtonById(3)
button.setChecked(True)
def setParameters(self, params):
"""
"""
width, height, gridColor, gridLineType, \
gridXSpacing, gridYSpacing, originLocation, \
displayLabelStyle = params
# blockSignals = True flag makes sure that the
# spinbox.valueChanged()
# signal is not emitted after calling spinbox.setValue().
self.widthDblSpinBox.setValue(width, blockSignals = True)
self.heightDblSpinBox.setValue(height, blockSignals = True)
self.win.glpane.gl_update()
self.gpColorTypeComboBox.setColor(gridColor)
self.gridLineType = gridLineType
self.gpXSpacingDoubleSpinBox.setValue(gridXSpacing)
self.gpYSpacingDoubleSpinBox.setValue(gridYSpacing)
self.gpOriginComboBox.setCurrentIndex(originLocation)
self.gpPositionComboBox.setCurrentIndex(displayLabelStyle)
def getCurrrentDisplayParams(self):
"""
Returns a tuple containing current display parameters such as current
image path and grid display params.
@see: Plane_EditCommand.command_update_internal_state() which uses this
to decide whether to modify the structure (e.g. because of change in the
image path or display parameters.)
"""
imagePath = self.imageDisplayFileChooser.text
gridColor = self.gpColorTypeComboBox.getColor()
return (imagePath, gridColor, self.gridLineType,
self.gridXSpacing, self.gridYSpacing,
self.originLocation, self.displayLabelStyle)
def getParameters(self):
"""
"""
width = self.widthDblSpinBox.value()
height = self.heightDblSpinBox.value()
gridColor = self.gpColorTypeComboBox.getColor()
params = (width, height, gridColor, self.gridLineType,
self.gridXSpacing, self.gridYSpacing, self.originLocation,
self.displayLabelStyle)
return params
def change_plane_width(self, newWidth):
"""
Slot for width spinbox in the Property Manager.
@param newWidth: width in Angstroms.
@type newWidth: float
"""
if self.aspectRatioCheckBox.isChecked():
self.command.struct.width = newWidth
self.command.struct.height = self.command.struct.width / \
self.aspectRatioSpinBox.value()
self.update_spinboxes()
else:
self.change_plane_size()
self._updateAspectRatio()
def change_plane_height(self, newHeight):
"""
Slot for height spinbox in the Property Manager.
@param newHeight: height in Angstroms.
@type newHeight: float
"""
if self.aspectRatioCheckBox.isChecked():
self.command.struct.height = newHeight
self.command.struct.width = self.command.struct.height * \
self.aspectRatioSpinBox.value()
self.update_spinboxes()
else:
self.change_plane_size()
self._updateAspectRatio()
def change_plane_size(self, gl_update = True):
"""
Slot to change the Plane's width and height.
@param gl_update: Forces an update of the glpane.
@type gl_update: bool
"""
self.command.struct.width = self.widthDblSpinBox.value()
self.command.struct.height = self.heightDblSpinBox.value()
if gl_update:
self.command.struct.glpane.gl_update()
def change_vertical_scale(self, scale):
"""
Changes vertical scaling of the heightfield.
"""
if self.command and self.command.struct:
plane = self.command.struct
plane.heightfield_scale = scale
plane.computeHeightfield()
plane.glpane.gl_update()
def changePlanePlacement(self, buttonId):
"""
Slot to change the placement of the plane depending upon the
option checked in the "Placement Options" group box of the PM.
@param buttonId: The button id of the selected radio button (option).
@type buttonId: int
"""
if buttonId == 0:
msg = "Create a Plane parallel to the screen. "\
"With <b>Parallel to Screen</b> plane placement option, the "\
"center of the plane is always (0,0,0)"
self.updateMessage(msg)
self.command.placePlaneParallelToScreen()
elif buttonId == 1:
msg = "Create a Plane with center coinciding with the common center "\
"of <b> 3 or more selected atoms </b>. If exactly 3 atoms are "\
"selected, the Plane will pass through those atoms."
self.updateMessage(msg)
self.command.placePlaneThroughAtoms()
if self.command.logMessage:
env.history.message(self.command.logMessage)
elif buttonId == 2:
msg = "Create a Plane at an <b>offset</b> to the selected plane "\
"indicated by the direction arrow. "\
"you can click on the direction arrow to reverse its direction."
self.updateMessage(msg)
self.command.placePlaneOffsetToAnother()
if self.command.logMessage:
env.history.message(self.command.logMessage)
elif buttonId == 3:
#'Custom' plane placement. Do nothing (only update message box)
# Fixes bug 2439
msg = "Create a plane with a <b>Custom</b> plane placement. "\
"The plane is placed parallel to the screen, with "\
"center at (0, 0, 0). User can then modify the plane placement."
self.updateMessage(msg)
def _enableAspectRatioSpinBox(self, enable):
"""
Slot for "Maintain Aspect Ratio" checkbox which enables or disables
the Aspect Ratio spin box.
@param enable: True = enable, False = disable.
@type enable: bool
"""
self.aspectRatioSpinBox.setEnabled(enable)
def _updateAspectRatio(self):
"""
Updates the Aspect Ratio spin box based on the current width and height.
"""
aspectRatio = self.command.struct.width / self.command.struct.height
self.aspectRatioSpinBox.setValue(aspectRatio)
def _update_UI_do_updates(self):
"""
Overrides superclass method.
@see: Command_PropertyManager._update_UI_do_updates() for documentation.
@see: Plane.resizeGeometry()
@see: self.update_spinboxes()
@see: Plane_EditCommand.command_update_internal_state()
"""
#This typically gets called when the plane is resized from the
#3D workspace (which marks assy as modified) . So, update the spinboxes
#that represent the Plane's width and height.
self.update_spinboxes()
def update_props_if_needed_before_closing(self):
"""
This updates some cosmetic properties of the Plane (e.g. fill color,
border color, etc.) before closing the Property Manager.
"""
# Example: The Plane Property Manager is open and the user is
# 'previewing' the plane. Now the user clicks on "Build > Atoms"
# to invoke the next command (without clicking "Done").
# This calls openPropertyManager() which replaces the current PM
# with the Build Atoms PM. Thus, it creates and inserts the Plane
# that was being previewed. Before the plane is permanently inserted
# into the part, it needs to change some of its cosmetic properties
# (e.g. fill color, border color, etc.) which distinguishes it as
# a new plane in the part. This function changes those properties.
# ninad 2007-06-13
#called in updatePropertyManager in MWsemeantics.py --(Partwindow class)
EditCommand_PM.update_props_if_needed_before_closing(self)
#Don't draw the direction arrow when the object is finalized.
if self.command.struct and \
self.command.struct.offsetParentGeometry:
dirArrow = self.command.struct.offsetParentGeometry.directionArrow
dirArrow.setDrawRequested(False)
def updateMessage(self, msg = ''):
"""
Updates the message box with an informative message
@param message: Message to be displayed in the Message groupbox of
the property manager
@type message: string
"""
self.MessageGroupBox.insertHtmlMessage(msg,
setAsDefault = False,
minLines = 5)
def rotate_90(self):
"""
Rotate the image clockwise.
"""
if self.command.hasValidStructure():
self.command.struct.rotateImage(0)
return
def rotate_neg_90(self):
"""
Rotate the image counterclockwise.
"""
if self.command.hasValidStructure():
self.command.struct.rotateImage(1)
return
def flip_image(self):
"""
Flip the image horizontally.
"""
if self.command.hasValidStructure():
self.command.struct.mirrorImage(1)
return
def mirror_image(self):
"""
Flip the image vertically.
"""
if self.command.hasValidStructure():
self.command.struct.mirrorImage(0)
return
class GrapheneGeneratorPropertyManager(EditCommand_PM):
"""
The GrapheneGeneratorPropertyManager class provides a Property Manager
for the "Build > Graphene (Sheet)" command.
"""
# The title that appears in the property manager header.
title = "Graphene Generator"
# The name of this property manager. This will be set to
# the name of the PM_Dialog object via setObjectName().
pmName = title
# The relative path to PNG file that appears in the header.
iconPath = "ui/actions/Tools/Build Structures/Graphene.png"
def __init__(self, command):
"""
Construct the "Build Graphene" Property Manager.
"""
_superclass.__init__(self, command)
msg = "Edit the parameters below and click the <b>Preview</b> "\
"button to preview the graphene sheet. Clicking <b>Done</b> "\
"inserts it into the model."
self.updateMessage(msg=msg)
self.showTopRowButtons( PM_DONE_BUTTON | \
PM_CANCEL_BUTTON | \
PM_PREVIEW_BUTTON | \
PM_WHATS_THIS_BUTTON)
def _addGroupBoxes(self):
"""
Add the group boxes to the Graphene Property Manager dialog.
"""
self.pmGroupBox1 = \
PM_GroupBox( self,
title = "Graphene Parameters" )
self._loadGroupBox1(self.pmGroupBox1)
def _loadGroupBox1(self, pmGroupBox):
"""
Load widgets in groubox 1.
"""
self.heightField = \
PM_DoubleSpinBox( pmGroupBox,
label = "Height :",
value = 20.0,
setAsDefault = True,
minimum = 1.0,
maximum = 100.0,
singleStep = 1.0,
decimals = 3,
suffix = ' Angstroms')
self.widthField = \
PM_DoubleSpinBox( pmGroupBox,
label = "Width :",
value = 20.0,
setAsDefault = True,
minimum = 1.0,
maximum = 100.0,
singleStep = 1.0,
decimals = 3,
suffix = ' Angstroms')
self.bondLengthField = \
PM_DoubleSpinBox( pmGroupBox,
label = "Bond Length :",
value = CC_GRAPHITIC_BONDLENGTH,
setAsDefault = True,
minimum = 1.0,
maximum = 3.0,
singleStep = 0.1,
decimals = 3,
suffix = ' Angstroms')
endingChoices = ["None", "Hydrogen", "Nitrogen"]
self.endingsComboBox= \
PM_ComboBox( pmGroupBox,
label = "Endings :",
choices = endingChoices,
index = 0,
setAsDefault = True,
spanWidth = False )
def getParameters(self):
"""
Return the parameters from this property manager
to be used to create the graphene sheet.
@return: A tuple containing the parameters
@rtype: tuple
@see: L{Graphene_EditCommand._gatherParameters()} where this is used
"""
height = self.heightField.value()
width = self.widthField.value()
bond_length = self.bondLengthField.value()
endings = self.endingsComboBox.currentIndex()
return (height, width, bond_length, endings)
def _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
from ne1_ui.WhatsThisText_for_PropertyManagers import whatsThis_GrapheneGeneratorPropertyManager
whatsThis_GrapheneGeneratorPropertyManager(self)
def _addToolTipText(self):
"""
Tool Tip text for widgets in this Property Manager.
"""
from ne1_ui.ToolTipText_for_PropertyManagers import ToolTip_GrapheneGeneratorPropertyManager
ToolTip_GrapheneGeneratorPropertyManager(self)
class PeptideGeneratorPropertyManager(PM_Dialog):
"""
The PeptideGeneratorPropertyManager class provides a Property Manager
for the "Build > Peptide" command.
"""
# The title that appears in the property manager header.
title = "Peptide Generator"
# The name of this property manager. This will be set to
# the name of the PropMgr (this) object via setObjectName().
pmName = title
# The relative path to PNG file that appears in the header.
iconPath = "ui/actions/Tools/Build Structures/Peptide.png"
def __init__(self):
"""Construct the Peptide Property Manager.
"""
PM_Dialog.__init__(self, self.pmName, self.iconPath, self.title)
# phi psi angles will define the secondary structure of the peptide chain
self.phi = -57.0
self.psi = -47.0
self.chirality = 1
self.ss_idx = 1
self.peptide_cache = []
self.updateMessageGroupBox()
def updateMessageGroupBox(self):
msg = ""
msg = msg + "Click on the Amino Acid buttons to add a new residuum to\
the polypeptide chain. Click <b>Done</b> to insert it into the project."
# This causes the "Message" box to be displayed as well.
# setAsDefault=True causes this message to be reset whenever
# this PropMgr is (re)displayed via show(). Mark 2007-06-01.
self.MessageGroupBox.insertHtmlMessage(msg, setAsDefault=True)
def _addGroupBoxes(self):
"""
Add the group boxe to the Peptide Property Manager dialog.
"""
self.pmGroupBox1 = \
PM_GroupBox( self,
title = "Peptide Parameters" )
# Add group box widgets.
self._loadGroupBox1(self.pmGroupBox1)
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)
def _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
from ne1_ui.WhatsThisText_for_PropertyManagers import whatsThis_PeptideGeneratorPropertyManager
whatsThis_PeptideGeneratorPropertyManager(self)
def _addToolTipText(self):
"""
Tool Tip text for widgets in this Property Manager.
"""
from ne1_ui.ToolTipText_for_PropertyManagers import ToolTip_PeptideGeneratorPropertyManager
ToolTip_PeptideGeneratorPropertyManager(self)
def _aaChiralityChanged(self):
"""
Set chirality of the peptide chain.
"""
self.psi *= -1
self.phi *= -1
self.phiAngleField.setValue(self.phi)
self.psiAngleField.setValue(self.psi)
def _aaTypeChanged(self, idx):
"""
Slot for Peptide Structure Type combobox.
Changes phi/psi angles for secondary structure.
"""
self.ss_idx = idx
if idx == 0:
self.phiAngleField.setEnabled(True)
self.psiAngleField.setEnabled(True)
else:
self.phiAngleField.setEnabled(False)
self.psiAngleField.setEnabled(False)
if idx == 1: # alpha helix
self.phi = -57.0
self.psi = -47.0
elif idx == 2: # beta strand
self.phi = -135.0
self.psi = 135.0
elif idx == 3: # 3-10 helix
self.phi = -55.0
self.psi = -70.0
elif idx == 4: # pi helix
self.phi = -49.0
self.psi = -26.0
elif idx == 5: # polyprolin-II
self.phi = -75.0
self.psi = 150.0
elif idx == 6: # fully extended
self.phi = -180.0
self.psi = 180.0
else:
self.phi = self.phiAngleField.value()
self.psi = self.psiAngleField.value()
self.phi *= self.chirality
self.psi *= self.chirality
self.phiAngleField.setValue(self.phi)
self.psiAngleField.setValue(self.psi)
pass
def _aaPhiAngleChanged(self, phi):
self.phi = self.phiAngleField.value()
pass
def _aaPsiAngleChanged(self, psi):
self.psi = self.psiAngleField.value()
pass
def _setAminoAcidType(self, aaTypeIndex):
"""
Adds a new amino acid to the peptide molecule.
"""
button, idx, short_name, dum, name, symbol, x, y = AA_BUTTON_LIST[
aaTypeIndex]
if self.ss_idx == 1:
aa_txt = "<font color=red>"
elif self.ss_idx == 2:
aa_txt = "<font color=blue>"
elif self.ss_idx == 3:
aa_txt = "<font color=green>"
elif self.ss_idx == 4:
aa_txt = "<font color=orange>"
elif self.ss_idx == 5:
aa_txt = "<font color=magenta>"
elif self.ss_idx == 6:
aa_txt = "<font color=darkblue>"
else:
aa_txt = "<font color=black>"
aa_txt += symbol + "</font>"
self.sequenceEditor.insertHtml(aa_txt, False, 4, 10, False)
self.addAminoAcid(aaTypeIndex)
pass
def _startOverClicked(self):
"""
Resets a sequence in the sequence editor window.
"""
self.sequenceEditor.clear()
self.peptide_cache = []
pass
class InsertPeptide_PropertyManager(EditCommand_PM):
"""
The InsertPeptide_PropertyManager class provides a Property Manager
for the "Insert > Peptide" command.
"""
# The title that appears in the property manager header.
title = "Insert Peptide"
# The name of this property manager. This will be set to
# the name of the PropMgr (this) object via setObjectName().
pmName = title
# The relative path to PNG file that appears in the header.
iconPath = "ui/actions/Command Toolbar/BuildProtein/InsertPeptide.png"
# phi psi angles will define the secondary structure of the peptide chain
phi = -57.0
psi = -47.0
chirality = 1
secondary = SS_HELIX
current_amino_acid = 7 # Glycine
# DEPRECATED ATTRS
#peptide_cache = []
#peptide_cache.append((0, 0, 0))
def __init__( self, command ):
"""
Construct the Property Manager.
"""
_superclass.__init__( self, command )
self.showTopRowButtons( PM_DONE_BUTTON | \
PM_CANCEL_BUTTON | \
PM_WHATS_THIS_BUTTON)
return
def show(self):
"""
Extends superclass method.
"""
_superclass.show(self)
self.updateMessage("Choose the peptide parameters below, then click "\
"two endpoints in the graphics area to insert a "\
"peptide chain.")
return
def getParameters(self):
"""
Return the parameters from this property manager
to be used to create the peptide.
@return: A tuple containing the parameters
@rtype: tuple
@see: L{InsertPeptide_EditCommand._gatherParameters()} where this is used
"""
return (self.secondary, self.phi, self.psi, self.current_amino_acid)
def _addGroupBoxes(self):
"""
Add the group boxe to the Peptide Property Manager dialog.
"""
self.pmGroupBox1 = \
PM_GroupBox( self,
title = "Peptide Parameters" )
# Add group box widgets.
self._loadGroupBox1(self.pmGroupBox1)
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 = 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 _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
from ne1_ui.WhatsThisText_for_PropertyManagers import whatsThis_InsertPeptide_PropertyManager
whatsThis_InsertPeptide_PropertyManager(self)
return
def _addToolTipText(self):
"""
Tool Tip text for widgets in this Property Manager.
"""
from ne1_ui.ToolTipText_for_PropertyManagers import ToolTip_InsertPeptide_PropertyManager
ToolTip_InsertPeptide_PropertyManager(self)
return
def _aaChiralityChanged(self):
"""
Set chirality of the peptide chain.
"""
# This feature is currently disable as it was confusing to the users
# who expected control over chirality of amino acids (D/L conformers)
# rather than over polypeptide chain (left/right-handed structure).
self.psi *= -1
self.phi *= -1
self.phiAngleField.setValue(self.phi)
self.psiAngleField.setValue(self.psi)
return
def _aaTypeChanged(self, idx):
"""
Slot for Peptide Structure Type combo box. Changes phi/psi angles
for secondary structure.
@param idx: index of secondary structure combo box
@type idx: int
"""
self.ss_idx = idx
if idx == 0:
self.phiAngleField.setEnabled(True)
self.psiAngleField.setEnabled(True)
else:
self.phiAngleField.setEnabled(False)
self.psiAngleField.setEnabled(False)
if idx == 1: # alpha helix
self.phi = -57.0
self.psi = -47.0
self.secondary = SS_HELIX
elif idx == 2: # beta strand
self.phi = -135.0
self.psi = 135.0
self.secondary = SS_STRAND
elif idx == 3: # 3-10 helix
self.phi = -55.0
self.psi = -70.0
self.secondary = SS_HELIX
elif idx == 4: # pi helix
self.phi = -49.0
self.psi = -26.0
self.secondary = SS_HELIX
elif idx == 5: # polyprolin-II
self.phi = -75.0
self.psi = 150.0
self.secondary = SS_COIL
elif idx == 6: # fully extended
self.phi = -180.0
self.psi = 180.0
self.secondary = SS_STRAND
else:
self.phi = self.phiAngleField.value()
self.psi = self.psiAngleField.value()
self.secondary = SS_COIL
self.phi *= self.chirality
self.psi *= self.chirality
self.command.secondary = self.secondary
self.phiAngleField.setValue(self.phi)
self.psiAngleField.setValue(self.psi)
return
def _aaPhiAngleChanged(self, phi):
"""
Called when phi angle spin box has changed.
@param phi: phi angle value
@type phi: float
"""
self.phi = self.phiAngleField.value()
return
def _aaPsiAngleChanged(self, psi):
"""
Called when psi angle spin box has changed.
@param psi: psi angle value
@type psi: float
"""
self.psi = self.psiAngleField.value()
return
def _setAminoAcidType(self, index):
"""
Sets the current amino acid type to I{index}.
"""
self.current_amino_acid = index
return
# --------------------------------------------------------------------
# Deprecated methods to keep until we're certain this is working.
# --Mark 2008-12-12.
def addAminoAcid_DEPRECATED(self, index):
"""
Adds a new amino acid to the peptide molecule.
"""
# This commened out code is obsolete in interactive peptide builder.
# The interactive peptide builder creates homopeptides.
# add a new amino acid and chain conformation to the peptide cache
#self.peptide_cache.append((index,self.phi,self.psi))
#self.peptide_cache[0] = (index,self.phi,self.psi)
self.current_amino_acid = index
return
def _setAminoAcidType_DEPRECATED(self, aaTypeIndex):
"""
Adds a new amino acid to the peptide molecule.
"""
# piotr 080911: this method is obsolete as of 080911. It was used in
# the old Peptide Generator.
button, idx, short_name, dum, name, symbol, x, y = AA_BUTTON_LIST[aaTypeIndex]
if self.ss_idx==1:
aa_txt = "<font color=red>"
elif self.ss_idx==2:
aa_txt = "<font color=blue>"
elif self.ss_idx==3:
aa_txt = "<font color=green>"
elif self.ss_idx==4:
aa_txt = "<font color=orange>"
elif self.ss_idx==5:
aa_txt = "<font color=magenta>"
elif self.ss_idx==6:
aa_txt = "<font color=darkblue>"
else:
aa_txt = "<font color=black>"
aa_txt += symbol+"</font>"
#self.sequenceEditor.insertHtml(aa_txt, False, 4, 10, False)
return
class DnaDuplexPropertyManager( DnaOrCnt_PropertyManager ):
"""
The DnaDuplexPropertyManager class provides a Property Manager
for the B{Build > DNA > Duplex} command.
@ivar title: The title that appears in the property manager header.
@type title: str
@ivar pmName: The name of this property manager. This is used to set
the name of the PM_Dialog object via setObjectName().
@type name: str
@ivar iconPath: The relative path to the PNG file that contains a
22 x 22 icon image that appears in the PM header.
@type iconPath: str
"""
title = "Insert DNA"
pmName = title
iconPath = "ui/actions/Tools/Build Structures/InsertDsDna.png"
def __init__( self, win, editCommand ):
"""
Constructor for the DNA Duplex property manager.
"""
self.endPoint1 = None
self.endPoint2 = None
self._conformation = "B-DNA"
self._numberOfBases = 0
self._basesPerTurn = getDuplexBasesPerTurn(self._conformation)
self._duplexRise = getDuplexRise(self._conformation)
self._duplexLength = getDuplexLength(self._conformation,
self._numberOfBases)
_superclass.__init__( self,
win,
editCommand)
self.showTopRowButtons( PM_DONE_BUTTON | \
PM_CANCEL_BUTTON | \
PM_WHATS_THIS_BUTTON)
def connect_or_disconnect_signals(self, isConnect):
"""
Connect or disconnect widget signals sent to their slot methods.
This can be overridden in subclasses. By default it does nothing.
@param isConnect: If True the widget will send the signals to the slot
method.
@type isConnect: boolean
"""
if isConnect:
change_connect = self.win.connect
else:
change_connect = self.win.disconnect
change_connect(self._placementOptions.buttonGroup,
SIGNAL("buttonClicked(int)"),
self.activateSpecifyReferencePlaneTool)
change_connect( self.conformationComboBox,
SIGNAL("currentIndexChanged(int)"),
self.conformationComboBoxChanged )
change_connect( self.numberOfBasePairsSpinBox,
SIGNAL("valueChanged(int)"),
self.numberOfBasesChanged )
change_connect( self.basesPerTurnDoubleSpinBox,
SIGNAL("valueChanged(double)"),
self.basesPerTurnChanged )
change_connect( self.duplexRiseDoubleSpinBox,
SIGNAL("valueChanged(double)"),
self.duplexRiseChanged )
change_connect(self.showCursorTextCheckBox,
SIGNAL('stateChanged(int)'),
self._update_state_of_cursorTextGroupBox)
self.duplexRiseDoubleSpinBox.connectWithState(
Preferences_StateRef_double( bdnaRise_prefs_key,
env.prefs[bdnaRise_prefs_key] )
)
self.basesPerTurnDoubleSpinBox.connectWithState(
Preferences_StateRef_double( bdnaBasesPerTurn_prefs_key,
env.prefs[bdnaBasesPerTurn_prefs_key] )
)
def ok_btn_clicked(self):
"""
Slot for the OK button
"""
if self.editCommand:
self.editCommand.preview_or_finalize_structure(previewing = False)
##env.history.message(self.editCommand.logMessage)
self.win.toolsDone()
def cancel_btn_clicked(self):
"""
Slot for the Cancel button.
"""
if self.editCommand:
self.editCommand.cancelStructure()
self.win.toolsCancel()
def _update_widgets_in_PM_before_show(self):
"""
Update various widgets in this Property manager.
Overrides superclass method
@see: MotorPropertyManager._update_widgets_in_PM_before_show
@see: self.show where it is called.
"""
pass
def getFlyoutActionList(self):
""" returns custom actionlist that will be used in a specific mode
or editing a feature etc Example: while in movie mode,
the _createFlyoutToolBar method calls
this """
#'allActionsList' returns all actions in the flyout toolbar
#including the subcontrolArea actions
allActionsList = []
#Action List for subcontrol Area buttons.
#In this mode there is really no subcontrol area.
#We will treat subcontrol area same as 'command area'
#(subcontrol area buttons will have an empty list as their command area
#list). We will set the Comamnd Area palette background color to the
#subcontrol area.
subControlAreaActionList =[]
self.exitEditCommandAction.setChecked(True)
subControlAreaActionList.append(self.exitEditCommandAction)
separator = QAction(self.w)
separator.setSeparator(True)
subControlAreaActionList.append(separator)
allActionsList.extend(subControlAreaActionList)
#Empty actionlist for the 'Command Area'
commandActionLists = []
#Append empty 'lists' in 'commandActionLists equal to the
#number of actions in subControlArea
for i in range(len(subControlAreaActionList)):
lst = []
commandActionLists.append(lst)
params = (subControlAreaActionList, commandActionLists, allActionsList)
return params
def _addGroupBoxes( self ):
"""
Add the DNA Property Manager group boxes.
"""
self._pmReferencePlaneGroupBox = PM_GroupBox( self,
title = "Placement Options" )
self._loadReferencePlaneGroupBox( self._pmReferencePlaneGroupBox )
self._pmGroupBox1 = PM_GroupBox( self, title = "Endpoints" )
self._loadGroupBox1( self._pmGroupBox1 )
self._pmGroupBox1.hide()
self._pmGroupBox2 = PM_GroupBox( self, title = "Parameters" )
self._loadGroupBox2( self._pmGroupBox2 )
self._displayOptionsGroupBox = PM_GroupBox( self,
title = "Display Options" )
self._loadDisplayOptionsGroupBox( self._displayOptionsGroupBox )
def _loadGroupBox1(self, pmGroupBox):
"""
Load widgets in group box 3.
"""
#Folllowing toolbutton facilitates entering a temporary DnaLineMode
#to create a DNA using endpoints of the specified line.
self.specifyDnaLineButton = PM_ToolButton(
pmGroupBox,
text = "Specify Endpoints",
iconPath = "ui/actions/Properties Manager/Pencil.png",
spanWidth = True
)
self.specifyDnaLineButton.setCheckable(True)
self.specifyDnaLineButton.setAutoRaise(True)
self.specifyDnaLineButton.setToolButtonStyle(
Qt.ToolButtonTextBesideIcon)
#EndPoint1 and endPoint2 coordinates. These widgets are hidden
# as of 2007- 12 - 05
self._endPoint1SpinBoxes = PM_CoordinateSpinBoxes(pmGroupBox,
label = "End Point 1")
self.x1SpinBox = self._endPoint1SpinBoxes.xSpinBox
self.y1SpinBox = self._endPoint1SpinBoxes.ySpinBox
self.z1SpinBox = self._endPoint1SpinBoxes.zSpinBox
self._endPoint2SpinBoxes = PM_CoordinateSpinBoxes(pmGroupBox,
label = "End Point 2")
self.x2SpinBox = self._endPoint2SpinBoxes.xSpinBox
self.y2SpinBox = self._endPoint2SpinBoxes.ySpinBox
self.z2SpinBox = self._endPoint2SpinBoxes.zSpinBox
self._endPoint1SpinBoxes.hide()
self._endPoint2SpinBoxes.hide()
def _loadGroupBox2(self, pmGroupBox):
"""
Load widgets in group box 4.
"""
self.conformationComboBox = \
PM_ComboBox( pmGroupBox,
label = "Conformation:",
choices = ["B-DNA"],
setAsDefault = True)
dnaModelChoices = ['PAM3', 'PAM5']
self.dnaModelComboBox = \
PM_ComboBox( pmGroupBox,
label = "Model:",
choices = dnaModelChoices,
setAsDefault = True)
self.basesPerTurnDoubleSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "Bases per turn:",
value = env.prefs[bdnaBasesPerTurn_prefs_key],
setAsDefault = True,
minimum = 8.0,
maximum = 20.0,
decimals = 2,
singleStep = 0.1 )
self.duplexRiseDoubleSpinBox = \
PM_DoubleSpinBox( pmGroupBox,
label = "Rise:",
value = env.prefs[bdnaRise_prefs_key],
setAsDefault = True,
minimum = 2.0,
maximum = 4.0,
decimals = 3,
singleStep = 0.01 )
# Strand Length (i.e. the number of bases)
self.numberOfBasePairsSpinBox = \
PM_SpinBox( pmGroupBox,
label = "Base pairs:",
value = self._numberOfBases,
setAsDefault = False,
minimum = 0,
maximum = 10000 )
self.numberOfBasePairsSpinBox.setDisabled(True)
# Duplex Length
self.duplexLengthLineEdit = \
PM_LineEdit( pmGroupBox,
label = "Duplex length: ",
text = "0.0 Angstroms",
setAsDefault = False)
self.duplexLengthLineEdit.setDisabled(True)
def _loadDisplayOptionsGroupBox(self, pmGroupBox):
"""
Load widgets in the Display Options GroupBox
@see: DnaOrCnt_PropertyManager. _loadDisplayOptionsGroupBox
"""
#Call the superclass method that loads the cursor text checkboxes.
#Note, as of 2008-05-19, the superclass, DnaOrCnt_PropertyManager
#only loads the cursor text groupboxes. Subclasses like this can
#call custom methods like self._loadCursorTextCheckBoxes etc if they
#don't need all groupboxes that the superclass loads.
_superclass._loadDisplayOptionsGroupBox(self, pmGroupBox)
self._rubberbandLineGroupBox = PM_GroupBox(
pmGroupBox,
title = 'Rubber band line:')
dnaLineChoices = ['Ribbons', 'Ladder']
self.dnaRubberBandLineDisplayComboBox = \
PM_ComboBox( self._rubberbandLineGroupBox ,
label = " Display as:",
choices = dnaLineChoices,
setAsDefault = True)
self.lineSnapCheckBox = \
PM_CheckBox(self._rubberbandLineGroupBox ,
text = 'Enable line snap' ,
widgetColumn = 1,
state = Qt.Checked
)
def _connect_showCursorTextCheckBox(self):
"""
Connect the show cursor text checkbox with user prefs_key.
Overrides
DnaOrCnt_PropertyManager._connect_showCursorTextCheckBox
"""
connect_checkbox_with_boolean_pref(
self.showCursorTextCheckBox ,
dnaDuplexEditCommand_showCursorTextCheckBox_prefs_key)
def _params_for_creating_cursorTextCheckBoxes(self):
"""
Returns params needed to create various cursor text checkboxes connected
to prefs_keys that allow custom cursor texts.
@return: A list containing tuples in the following format:
('checkBoxTextString' , preference_key). PM_PrefsCheckBoxes
uses this data to create checkboxes with the the given names and
connects them to the provided preference keys. (Note that
PM_PrefsCheckBoxes puts thes within a GroupBox)
@rtype: list
@see: PM_PrefsCheckBoxes
@see: self._loadDisplayOptionsGroupBox where this list is used.
@see: Superclass method which is overridden here --
DnaOrCnt_PropertyManager._params_for_creating_cursorTextCheckBoxes()
"""
params = \
[ #Format: (" checkbox text", prefs_key)
("Number of base pairs",
dnaDuplexEditCommand_cursorTextCheckBox_numberOfBasePairs_prefs_key),
("Number of turns",
dnaDuplexEditCommand_cursorTextCheckBox_numberOfTurns_prefs_key),
("Duplex length",
dnaDuplexEditCommand_cursorTextCheckBox_length_prefs_key),
("Angle",
dnaDuplexEditCommand_cursorTextCheckBox_angle_prefs_key) ]
return params
def _addToolTipText(self):
"""
Tool Tip text for widgets in the DNA Property Manager.
"""
pass
def conformationComboBoxChanged( self, inIndex ):
"""
Slot for the Conformation combobox. It is called whenever the
Conformation choice is changed.
@param inIndex: The new index.
@type inIndex: int
"""
conformation = self.conformationComboBox.currentText()
if conformation == "B-DNA":
self.basesPerTurnDoubleSpinBox.setValue("10.0")
elif conformation == "Z-DNA":
self.basesPerTurnDoubleSpinBox.setValue("12.0")
else:
msg = redmsg("conformationComboBoxChanged(): \
Error - unknown DNA conformation. Index = "+ inIndex)
env.history.message(msg)
self.duplexLengthSpinBox.setSingleStep(getDuplexRise(conformation))
def numberOfBasesChanged( self, numberOfBases ):
"""
Slot for the B{Number of Bases} spinbox.
"""
# Update the Duplex Length lineEdit widget.
text = str(getDuplexLength(self._conformation,
numberOfBases,
self._duplexRise)) \
+ " Angstroms"
self.duplexLengthLineEdit.setText(text)
return
def basesPerTurnChanged( self, basesPerTurn ):
"""
Slot for the B{Bases per turn} spinbox.
"""
self.editCommand.basesPerTurn = basesPerTurn
self._basesPerTurn = basesPerTurn
return
def duplexRiseChanged( self, rise ):
"""
Slot for the B{Rise} spinbox.
"""
self.editCommand.duplexRise = rise
self._duplexRise = rise
return
def getParameters(self):
"""
Return the parameters from this property manager
to be used to create the DNA duplex.
@return: A tuple containing the parameters
@rtype: tuple
@see: L{DnaDuplex_EditCommand._gatherParameters} where this is used
"""
numberOfBases = self.numberOfBasePairsSpinBox.value()
dnaForm = str(self.conformationComboBox.currentText())
basesPerTurn = self.basesPerTurnDoubleSpinBox.value()
duplexRise = self.duplexRiseDoubleSpinBox.value()
dnaModel = str(self.dnaModelComboBox.currentText())
# First endpoint (origin) of DNA duplex
x1 = self.x1SpinBox.value()
y1 = self.y1SpinBox.value()
z1 = self.z1SpinBox.value()
# Second endpoint (direction vector/axis) of DNA duplex.
x2 = self.x2SpinBox.value()
y2 = self.y2SpinBox.value()
z2 = self.z2SpinBox.value()
if not self.endPoint1:
self.endPoint1 = V(x1, y1, z1)
if not self.endPoint2:
self.endPoint2 = V(x2, y2, z2)
return (numberOfBases,
dnaForm,
dnaModel,
basesPerTurn,
duplexRise,
self.endPoint1,
self.endPoint2)
def _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
whatsThis_DnaDuplexPropertyManager(self)
class GrapheneGeneratorPropertyManager(EditCommand_PM):
"""
The GrapheneGeneratorPropertyManager class provides a Property Manager
for the "Build > Graphene (Sheet)" command.
"""
# The title that appears in the property manager header.
title = "Graphene Generator"
# The name of this property manager. This will be set to
# the name of the PM_Dialog object via setObjectName().
pmName = title
# The relative path to PNG file that appears in the header.
iconPath = "ui/actions/Tools/Build Structures/Graphene.png"
def __init__( self, command ):
"""
Construct the "Build Graphene" Property Manager.
"""
_superclass.__init__( self, command )
msg = "Edit the parameters below and click the <b>Preview</b> "\
"button to preview the graphene sheet. Clicking <b>Done</b> "\
"inserts it into the model."
self.updateMessage(msg = msg)
self.showTopRowButtons( PM_DONE_BUTTON | \
PM_CANCEL_BUTTON | \
PM_PREVIEW_BUTTON | \
PM_WHATS_THIS_BUTTON)
def _addGroupBoxes(self):
"""
Add the group boxes to the Graphene Property Manager dialog.
"""
self.pmGroupBox1 = \
PM_GroupBox( self,
title = "Graphene Parameters" )
self._loadGroupBox1(self.pmGroupBox1)
def _loadGroupBox1(self, pmGroupBox):
"""
Load widgets in groubox 1.
"""
self.heightField = \
PM_DoubleSpinBox( pmGroupBox,
label = "Height :",
value = 20.0,
setAsDefault = True,
minimum = 1.0,
maximum = 100.0,
singleStep = 1.0,
decimals = 3,
suffix = ' Angstroms')
self.widthField = \
PM_DoubleSpinBox( pmGroupBox,
label = "Width :",
value = 20.0,
setAsDefault = True,
minimum = 1.0,
maximum = 100.0,
singleStep = 1.0,
decimals = 3,
suffix = ' Angstroms')
self.bondLengthField = \
PM_DoubleSpinBox( pmGroupBox,
label = "Bond Length :",
value = CC_GRAPHITIC_BONDLENGTH,
setAsDefault = True,
minimum = 1.0,
maximum = 3.0,
singleStep = 0.1,
decimals = 3,
suffix = ' Angstroms')
endingChoices = ["None", "Hydrogen", "Nitrogen"]
self.endingsComboBox= \
PM_ComboBox( pmGroupBox,
label = "Endings :",
choices = endingChoices,
index = 0,
setAsDefault = True,
spanWidth = False )
def getParameters(self):
"""
Return the parameters from this property manager
to be used to create the graphene sheet.
@return: A tuple containing the parameters
@rtype: tuple
@see: L{Graphene_EditCommand._gatherParameters()} where this is used
"""
height = self.heightField.value()
width = self.widthField.value()
bond_length = self.bondLengthField.value()
endings = self.endingsComboBox.currentIndex()
return (height, width, bond_length, endings)
def _addWhatsThisText(self):
"""
What's This text for widgets in this Property Manager.
"""
from ne1_ui.WhatsThisText_for_PropertyManagers import whatsThis_GrapheneGeneratorPropertyManager
whatsThis_GrapheneGeneratorPropertyManager(self)
def _addToolTipText(self):
"""
Tool Tip text for widgets in this Property Manager.
"""
from ne1_ui.ToolTipText_for_PropertyManagers import ToolTip_GrapheneGeneratorPropertyManager
ToolTip_GrapheneGeneratorPropertyManager(self)
