class PropertyEditor(QtWidgets.QWidget):
def __init__(self, viewer, history):
super(PropertyEditor, self).__init__()
# set class fields
self.viewer = viewer
self.history = history
#widgets import
self.ui = Ui_propertyEditor()
self.ui.setupUi(self)
self.tree = self.ui.propertyTree
self.tree. setColumnWidth(0, 100)
self.tree. setColumnWidth(1, 140)
#initializes widgets on tree
self.xRotate = QtWidgets.QDoubleSpinBox(self.tree)
self.xRotate. setSingleStep (10.)
self.xRotate. setRange (-360., 360.)
xRotateAt = self.tree.topLevelItem(1).child(0)
self.yRotate = QtWidgets.QDoubleSpinBox(self.tree)
self.yRotate. setSingleStep (10.)
self.yRotate. setRange (-360., 360.)
yRotateAt = self.tree.topLevelItem(1).child(1)
self.zRotate = QtWidgets.QDoubleSpinBox(self.tree)
self.zRotate. setSingleStep (10.)
self.zRotate. setRange (-360., 360.)
zRotateAt = self.tree.topLevelItem(1).child(2)
self.xMoveBy = QtWidgets.QDoubleSpinBox(self.tree)
self.xMoveBy. setSingleStep (0.5)
self.xMoveBy. setRange (-1000., 1000.)
xMoveByAt = self.tree.topLevelItem(2).child(0)
self.yMoveBy = QtWidgets.QDoubleSpinBox(self.tree)
self.yMoveBy. setSingleStep (0.5)
self.yMoveBy. setRange (-1000., 1000.)
yMoveByAt = self.tree.topLevelItem(2).child(1)
self.zMoveBy = QtWidgets.QDoubleSpinBox(self.tree)
self.zMoveBy. setSingleStep (0.5)
self.zMoveBy. setRange (-1000., 1000.)
zMoveByAt = self.tree.topLevelItem(2).child(2)
#adds widgets to tree
self.tree.setItemWidget(xRotateAt, 1, self.xRotate)
self.tree.setItemWidget(yRotateAt, 1, self.yRotate)
self.tree.setItemWidget(zRotateAt, 1, self.zRotate)
self.tree.setItemWidget(xMoveByAt, 1, self.xMoveBy)
self.tree.setItemWidget(yMoveByAt, 1, self.yMoveBy)
self.tree.setItemWidget(zMoveByAt, 1, self.zMoveBy)
#manages widget events
self.xRotate.valueChanged.connect(self.Rotate)
self.yRotate.valueChanged.connect(self.Rotate)
self.zRotate.valueChanged.connect(self.Rotate)
self.xMoveBy.valueChanged.connect(self.MoveBy)
self.yMoveBy.valueChanged.connect(self.MoveBy)
self.zMoveBy.valueChanged.connect(self.MoveBy)
self.tree.resizeColumnToContents(0)
self.tree.resizeColumnToContents(1)
#initialize tree window
self.reset()
def reset(self):
#print "PropertyEditor reset "
self.mixture = Mixture(None)
self.registry = dict()
#self.ident = None
self.resetBoxes()
self.setToolTip("Select molecules to activate.")
self.setEnabled(False)
self.update()
def update(self):
# update resistry
presentMolecules = self.history.currentState().getMixture().molecules()
#print "PropertyEditor update ",presentMolecules, self.registry
regKeys = list(self.registry.keys())
for regKey in regKeys:
if not regKey in presentMolecules:
if self.mixture.hasMoleculeID(regKey): self.mixture.remove(regKey)
self.registry.pop(regKey)
self.resetBoxes()
QtWidgets.QWidget.update(self)
def resetBoxes(self):
if len(self) == 0:
self.tree.topLevelItem(0).setText(1, "")
else:
self.tree.topLevelItem(0).setText(1, str(self))
self.dx = 0.
self.dy = 0.
self.dz = 0.
self.anglex = 0.
self.angley = 0.
self.anglez = 0.
self.xRotate.setValue(0.)
self.yRotate.setValue(0.)
self.zRotate.setValue(0.)
self.xMoveBy.setValue(0.)
self.yMoveBy.setValue(0.)
self.zMoveBy.setValue(0.)
#show molecule name in the editor
def setMolecule(self, molecule, ident, removeIfPresent=False):
'''
Returns True if the molecule ends up selected, False otherwise..
'''
from .BuildTab import ShownSolvent
#print "PropertyEditor setMolecule new", ident, self.registry
if ident not in self.registry:
if ShownSolvent.isSolvent(ident):
mixture = self.history.currentState().getMixture()
mixtureNames = mixture.molecules()
#print "PropertyEditor setMolecule SOLVENT(",mixtureNames
pos = ident.find(')')+1
for mol in mixtureNames:
if mol[:pos] == ident[:pos]:
self.registry[mol] = self.mixture.add(mixture.getMolecule(mol), False)
self.registry[mol] = mixture.getMolecule(mol)
else:
#print "PropertyEditor setMolecule adding", ident
self.registry[ident] = molecule
#print "PropertyEditor setMolecule adding to mixture", ident, self.mixture.molecules()
self.mixture.add(molecule, False)
#self.ident = ident
#self.ident = self.getId()
self.setToolTip("Manage molecules' positions.")
self.setEnabled(True)
return False
self.resetBoxes()
else:
#print "PropertyEditor setMolecule duplicate",ident, self.registry
if removeIfPresent:
if ShownSolvent.isSolvent(ident):
mixture = self.history.currentState().getMixture()
mixtureNames = mixture.molecules()
pos = ident.find(')')+1
for mol in mixtureNames:
#print "PropertyEditor removing ",ident[:pos], mol[:pos]
if mol[:pos] == ident[:pos]:
#print "PropertyEditor OK "
self.removeSelection(mixture.getMolecule(mol), mol)
else:
self.removeSelection(molecule, ident)
return True
#print "PropertyEditor setMolecule reseting"
#print "PropertyEditor setMolecule finished"
def removeSelection(self, molecule, ident):
if ident in self.registry:
self.mixture.remove(self.mixture.getMoleculeID(molecule))
self.registry.pop(ident)
#print "PropertyEditor removeSelection removed:",ident
if len(self.registry) == 0:
self.reset()
#print "PropertyEditor setMolecule reseting"
self.resetBoxes()
def hasSelections(self): return len(self.registry) > 0
def selectedMolecules(self):
#print "selectedMolecules ", self.registry
return list(self.registry.values())
def selectedNames(self):
#print "selectedMolecules ",self.registry
return list(self.registry.keys())
def __str__(self):
return str(list(self.registry.keys()))
def __len__(self):
return len(self.registry)
#show rotation values in the editor
def Rotate(self):
if self.mixture.order() > 0:
x = self.xRotate.value()
y = self.yRotate.value()
z = self.zRotate.value()
value = str(x) + " x " + str(y) + " x " + str(z)
self.tree.topLevelItem(1).setText(1, value)
center = self.mixture.center()
self.mixture.moveBy([-xx for xx in center])
#print "Rotate ", x-self.anglex,y-self.angley,z-self.anglez
self.mixture.rotateDeg(x-self.anglex,y-self.angley,z-self.anglez)
self.mixture.moveBy(center)
self.anglex = x
self.angley = y
self.anglez = z
self.history.currentState().getMixture().setChanged()
self.viewer.update()
else:
self.tree.topLevelItem(1).setText(1, "0 x 0 x 0")
def MoveBy(self):
x = self.xMoveBy.value()
y = self.yMoveBy.value()
z = self.zMoveBy.value()
value = str(x) + " x " + str(y) + " x " + str(z)
self.tree.topLevelItem(2).setText(1, value)
self.mixture.moveBy([x-self.dx,y-self.dy,z-self.dz])
self.dx = x
self.dy = y
self.dz = z
self.history.currentState().getMixture().setChanged()
self.viewer.update()
def getId(self):
return str(self.mixture.moleculeNames())
class ShownMoleculesSet(set):
def __init__(self, mixture):
print("ShownMoleculesSet,__init__ caller=",
inspect.stack()[1]) #[3], mixture, type(mixture)
if isinstance(mixture, list):
self.mixture = Mixture()
for m in mixture:
self.mixture.add(m)
self.showAll()
else:
self.mixture = mixture
def show(self, mol):
#print "ShownMolecules show",mol
self.add(mol)
def showAll(self, mixture=None):
if mixture != None: self.addMolecules(mixture)
for mol in self.mixture:
self.add(mol)
def add(self, mol):
super(ShownMoleculesSet, self).add(self.mixture.getMolecule(mol))
def hide(self, mol):
self.discard(mol)
def remove(self, mol):
#print "ShownMoleculesSet remove ",mol
#try:
if isinstance(mol, Molecule):
super(ShownMoleculesSet, self).remove(mol)
else:
super(ShownMoleculesSet,
self).remove(self.mixture.getMolecule(mol))
#except:
#pass
def discard(self, mol):
super(ShownMoleculesSet, self).discard(self.mixture.getMolecule(mol))
'''
def discardFrom(self, molIDSet):
molset = set([ self.mixture.getMolecule(m) for m in molIDSet])
super(ShownMoleculesSet, self).difference(set(molSet))
'''
def duplicate(self, mol):
pass
def __deepcopy__(self, memo):
'''
Blocks deepcopy because it takes too long. Copy done manually in push()
'''
pass
def isShown(self, mol):
#print "isShown ", mol, mol in self.keys(), self[mol]
try:
return self.mixture.getMolecule(mol) in self
except:
return False
def shownList(self, mixture):
print("WARNING: ShownMoleculesSet deprecated.")
return list(self)
def addMolecules(self, mixture):
for mol in mixture:
self.add(mol)
def addDictionary(self, shDict):
'''
Adds information from a ShownMolecules object.
'''
for mol in shDict:
if shDict[mol]: self.add(mol)
def updateMixture(self, mixture):
self.intersection_update(
set([self.mixture.getMolecule(mol) for mol in mixture]))
self.mixture = mixture
def names(self):
return [self.mixture.getMoleculeID(molecule) for molecule in self]
