def _InitRuleBasedProcessor():
compound_lib_path = os.path.join(ost.GetSharedDataPath(),
'compounds.chemlib')
if os.path.exists(compound_lib_path):
conop_inst = conop.Conopology.Instance()
compound_lib = conop.CompoundLib.Load(compound_lib_path)
conop_inst.SetDefaultLib(compound_lib)
io.profiles['DEFAULT'].processor = conop.RuleBasedProcessor(
compound_lib)
class InspectorWidget(ToolBarOptionsWidget):
ICONS_PATH = os.path.join(ost.GetSharedDataPath(), "scene", "icons/")
def __init__(self, parent=None):
ToolBarOptionsWidget.__init__(self, parent)
app = gui.GostyApp.Instance()
options = [[
InspectorWidget.ICONS_PATH + "render_icon.png",
RenderOptionsWidget(self), None
],
[
InspectorWidget.ICONS_PATH + "color_icon.png",
ColorOptionsWidget(self), None
],
[
InspectorWidget.ICONS_PATH + "preset_icon.png",
AdditionalSettingsWidget(self),
"Additional Node Settings"
],
[
InspectorWidget.ICONS_PATH + "tool_icon.png",
app.tool_options_win.qobject, "Tool Options"
]]
for o in options:
ToolBarOptionsWidget.AddWidget(self, o[0], o[1], o[2])
self.obs = SceneObserverImpl()
self.obs.AttachObserver(self)
ost.scene.AttachObserver(self.obs)
app.scene_win.qobject.ActiveNodesChanged.connect(
self.ActiveNodesChanged)
self.setMinimumSize(250, 215)
#ToolBarOptionsWidget Method
def OnComboChange(self, item):
self.DoResize()
#Observer Methods
def NodeRemoved(self, node):
SelHelper().Update()
ToolBarOptionsWidget.Update(self)
def RenderModeChanged(self, node):
SelHelper().Update()
ToolBarOptionsWidget.Update(self)
def NodeChanged(self, node):
SelHelper().Update()
ToolBarOptionsWidget.Update(self)
def ActiveNodesChanged(self):
SelHelper().Update()
ToolBarOptionsWidget.Update(self)
class GradientPresetWidget(QtWidgets.QWidget):
ICONS_DIR = os.path.join(ost.GetSharedDataPath(), "gui", "icons/")
gradientSelected = QtCore.pyqtSignal(object, name="gradientSelected")
def __init__(self, gradient_edit, parent=None):
QtWidgets.QWidget.__init__(self, parent)
#Title
self.text_ = "Gradient Presets"
#Refrences
self.gradient_edit_ = gradient_edit
#Create Ui elements
self.list_view_ = QtWidgets.QListView()
#Create Model
self.list_model_ = GradientListModel(self)
self.list_view_.setModel(self.list_model_)
self.list_view_.setEditTriggers(
QtWidgets.QAbstractItemView.NoEditTriggers)
preset_label = QtWidgets.QLabel(self.text_)
font = preset_label.font()
font.setBold(True)
self.add_action = QtWidgets.QAction("+", self)
self.add_action.setIcon(
QtGui.QIcon(GradientPresetWidget.ICONS_DIR + "add_icon.png"))
self.add_action.triggered.connect(self.Add)
self.add_button_ = QtWidgets.QToolButton(self)
self.add_button_.setIconSize(QtCore.QSize(20, 20))
self.add_button_.setDefaultAction(self.add_action)
grid = QtWidgets.QGridLayout()
grid.setContentsMargins(0, 5, 0, 0)
grid.addWidget(preset_label, 0, 0, 1, 1)
qhbox = QtWidgets.QHBoxLayout()
grid.addWidget(self.list_view_, 1, 0, 3, 3)
grid.addWidget(self.add_button_, 4, 0, 1, 1)
self.setLayout(grid)
self.list_view_.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
self.list_view_.customContextMenuRequested.connect(
self.contextMenuEvent)
self.CreateImmutableContextMenu()
self.CreateContextMenu()
self.list_view_.doubleClicked.connect(self.Load)
def CreateImmutableContextMenu(self):
self.immucontextMenu_ = QtWidgets.QMenu("Context menu", self)
self.load_ = QtWidgets.QAction("Load", self.list_view_)
self.immucontextMenu_.addAction(self.load_)
#Connect Signal with Slot
self.load_.triggered.connect(self.LoadCurrentIndex)
def CreateContextMenu(self):
self.contextMenu_ = QtWidgets.QMenu("Context menu", self)
self.remove_ = QtWidgets.QAction("Remove", self.list_view_)
self.rename_ = QtWidgets.QAction("Rename", self.list_view_)
self.contextMenu_.addAction(self.load_)
self.contextMenu_.addAction(self.remove_)
self.contextMenu_.addAction(self.rename_)
#Connect Signals with Slots
self.remove_.triggered.connect(self.Remove)
self.rename_.triggered.connect(self.Rename)
def contextMenuEvent(self, pos):
#ContextMenu
index = self.list_view_.indexAt(pos)
if index.isValid():
if self.list_model_.IsEditable(index.row()):
self.contextMenu_.popup(QtWidgets.QCursor.pos())
else:
self.immucontextMenu_.popup(QtWidgets.QCursor.pos())
def Add(self):
if (self.list_view_.currentIndex().isValid()):
self.list_view_.closePersistentEditor(
self.list_view_.currentIndex())
row = self.list_model_.GetLastRow()
if self.list_model_.AddItem(datetime.now().isoformat(' '),
self.gradient_edit_.GetGradient(), row,
True, True):
index = self.list_model_.index(row)
self.list_view_.setCurrentIndex(index)
self.Rename()
else:
QtWidgets.QMessageBox.information(
self, "Gradient not added", "The gradient could not be added!")
def Remove(self):
if (self.list_view_.currentIndex().isValid()):
ret = QtWidgets.QMessageBox.warning(
self, "Delete Gradient", "Delete Gradient?",
QtWidgets.QMessageBox.Yes | QtWidgets.QMessageBox.No)
if ret == QtWidgets.QMessageBox.Yes:
self.list_model_.RemoveItem(
self.list_view_.currentIndex().row())
def LoadCurrentIndex(self):
if (self.list_view_.currentIndex().isValid()):
self.Load(self.list_view_.currentIndex())
def Load(self, index):
if (index.isValid()):
self.gradientSelected.emit(self.list_model_.GetGradient(index))
def Rename(self):
if (self.list_view_.currentIndex().isValid()):
self.list_view_.edit(self.list_view_.currentIndex())
def GetText(self):
return self.text_
class PresetListModel(QtCore.QAbstractListModel):
IMMUTABLE_PRESET_PATH = os.path.join(ost.GetSharedDataPath(), "scene",
"presets.xml")
MUTABLE_PRESET_PATH = "user_presets.xml"
dataChanged = QtCore.pyqtSignal(int, int, name="dataChanged")
def __init__(self, parent=None, *args):
QtCore.QAbstractListModel.__init__(self, parent, *args)
self.data_ = list()
#Info Handler
self.immutable_infoh_ = ImmutablePresetInfoHandler(
PresetListModel.IMMUTABLE_PRESET_PATH)
data_loc = str(
QtCore.QStandardPaths.writableLocation(
QtCore.QStandardPaths.DataLocation))
mutable_path = os.path.join(str(data_loc), 'config',
PresetListModel.MUTABLE_PRESET_PATH)
qdir = QtCore.QDir(data_loc)
if not qdir.exists():
qdir.mkpath("config")
self.infoh_ = PresetInfoHandler(mutable_path)
self.LoadPresetsFromInfo()
def AddItem(self, preset, row, editable, save):
if self.NameIsValid(preset.GetName()):
icon = self.GetIcon(preset)
self.insertRow(row, QtCore.QModelIndex())
self.data_[row] = [preset, icon, editable]
model_index = self.createIndex(row, 0)
index = self.index(row)
end_index = self.createIndex(self.rowCount(), 0)
if save:
self.AddPresetToInfo(preset)
self.dataChanged.emit(model_index, end_index)
return True
return False
def IsEditable(self, row):
return self.data_[row][2]
def RemoveItem(self, row):
if self.IsEditable(row):
name = self.data_[row][0].GetName()
self.removeRow(row, QtCore.QModelIndex())
model_index = self.createIndex(row, 0)
self.infoh_.RemovePreset(name)
self.dataChanged.emit(model_index, model_index)
return True
return False
def AddPresetToInfo(self, preset):
self.infoh_.StorePreset(preset)
def LoadPresetsFromInfo(self):
if self.immutable_infoh_:
presets = self.immutable_infoh_.GetPresets()
for k, v in presets.items():
self.AddItem(v, self.GetLastRow(), False, False)
presets = self.infoh_.GetPresets()
for k, v in presets.items():
self.AddItem(v, self.GetLastRow(), True, False)
def GetPreset(self, model_index):
if model_index.isValid():
return self.data_[model_index.row()][0]
def GetLastRow(self):
return self.rowCount()
#Helper
def GetIcon(self, preset):
pixmap = QtGui.QPixmap(64, 64)
pixmap.fill(QtCore.Qt.transparent)
return QtGui.QIcon(pixmap)
def NameIsValid(self, string):
if len(string) == 0:
return False
for values in self.data_:
if string == values[0].GetName():
return False
return True
#Overwritten Methods
def rowCount(self, parent=QtCore.QModelIndex()):
return len(self.data_)
def data(self, index, role):
if index.isValid() and index.row() < self.rowCount():
data = self.data_[index.row()]
if role == QtCore.Qt.DisplayRole:
return QtCore.QVariant(data[0].GetName())
elif role == QtCore.Qt.DecorationRole:
return QtCore.QVariant(data[1])
return QtCore.QVariant()
def setData(self, index, value, role):
if index.isValid():
row = index.row()
if not self.data_[row]:
self.data_[row] = list()
if role == QtCore.Qt.EditRole and self.NameIsValid(
value.toString()):
old_name = str(self.data_[row][0].GetName())
new_name = value.toString()
self.data_[row][0].SetName(str(new_name))
self.infoh_.RenamePreset(old_name, str(new_name))
self.dataChanged.emit(index, index)
return True
elif role == QtCore.Qt.DisplayRole:
self.data_[row][0].SetName(value.toString())
elif role == QtCore.Qt.DecorationRole:
self.dat_[row][1] = value.toPyObject()
return False
def flags(self, index):
if index.isValid():
flags = QtCore.QAbstractItemModel.flags(self, index)
if self.IsEditable(index.row()):
return flags | QtCore.Qt.ItemIsEditable
else:
return flags
return QtCore.Qt.ItemIsEnabled
def insertRow(self, position, index):
self.beginInsertRows(index, position, position)
self.data_.insert(position, list())
self.endInsertRows()
return True
def removeRow(self, position, index):
self.beginRemoveRows(index, position, position)
del self.data_[position]
self.endRemoveRows()
return True
def LoadCHARMMForcefield():
return Forcefield.Load(
os.path.join(ost.GetSharedDataPath(), 'forcefields', 'CHARMM27.dat'))
def LoadAMBERForcefield():
return Forcefield.Load(
os.path.join(ost.GetSharedDataPath(), 'forcefields', 'AMBER03.dat'))
from PyQt5 import QtCore, QtGui, QtWidgets
import os
import ost
from ost import gui
LOGO_PATH = os.path.join(ost.GetSharedDataPath(), "gui", "images",
"logo-small.png")
SPLASH_TEXT = """"Welcome to <b>Openstructure</b>!<br/><br/>
You are running version %s<br /><br />If you are new to OpenStructure, we
invite you to run the demos from the examples directory. Scripts can be
displayed by right clicking on the file and selecting 'Show source'.<br/><br/>
Feel free visit our website at:<br />
<a href='https://www.openstructure.org'>https://www.openstructure.org</a>
""" % ost.VERSION
class SplashDialog(QtWidgets.QDialog):
def __init__(self, parent=None):
QtWidgets.QDialog.__init__(self, parent)
layout = QtWidgets.QHBoxLayout(self)
self.setLayout(layout)
imageLabel = QtWidgets.QLabel()
self.pix_map = QtGui.QPixmap(LOGO_PATH)
imageLabel.setPixmap(self.pix_map)
layout.addWidget(imageLabel)
self.label = QtWidgets.QTextBrowser()
self.label.setReadOnly(True)
self.label.setOpenExternalLinks(True)
self.label.setHtml(SPLASH_TEXT)
class PresetWidget(QtWidgets.QWidget):
PRESET_XML_FILE = os.path.join(ost.GetSharedDataPath(), "scene",
"presets.xml")
ICONS_DIR = os.path.join(ost.GetSharedDataPath(), "gui", "icons/")
def __init__(self, parent=None):
QtWidgets.QWidget.__init__(self, parent)
self.text_ = "Presets"
#Create Ui elements
self.list_view_ = QtWidgets.QListView()
#Create Model
self.list_model_ = PresetListModel(self)
self.list_view_.setModel(self.list_model_)
self.list_view_.setEditTriggers(
QtWidgets.QAbstractItemView.NoEditTriggers)
self.add_action = QtWidgets.QAction("+", self)
self.add_action.setIcon(
QtGui.QIcon(PresetWidget.ICONS_DIR + "add_icon.png"))
self.add_action.triggered.connect(self.Add)
self.add_button_ = QtWidgets.QToolButton(self)
self.add_button_.setIconSize(QtCore.QSize(20, 20))
self.add_button_.setDefaultAction(self.add_action)
self.preset_editor_ = PresetEditor(self)
grid = QtWidgets.QGridLayout()
grid.setContentsMargins(0, 5, 0, 0)
grid.addWidget(self.list_view_, 0, 0, 3, 3)
grid.addWidget(self.add_button_, 3, 0, 1, 1)
self.setLayout(grid)
self.list_view_.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
self.list_view_.customContextMenuRequested.connect(
self.contextMenuEvent)
self.CreateImmutableContextMenu()
self.CreateContextMenu()
self.list_view_.doubleClicked.connect(self.Load)
self.setMinimumSize(250, 200)
def CreateImmutableContextMenu(self):
self.immucontext_menu_ = QtWidgets.QMenu("Context menu", self)
self.load_ = QtWidgets.QAction("Load", self.list_view_)
self.immucontext_menu_.addAction(self.load_)
#Connect Signal with Slot
self.load_.triggered.connect(self.LoadCurrentIndex)
def CreateContextMenu(self):
self.context_menu_ = QtWidgets.QMenu("Context menu", self)
self.remove_ = QtWidgets.QAction("Remove", self.list_view_)
self.rename_ = QtWidgets.QAction("Rename", self.list_view_)
self.edit_ = QtWidgets.QAction("Edit", self.list_view_)
self.context_menu_.addAction(self.load_)
self.context_menu_.addAction(self.remove_)
self.context_menu_.addAction(self.rename_)
self.context_menu_.addAction(self.edit_)
#Connect Signals with Slots
self.remove_.triggered.connect(self.Remove)
self.rename_.triggered.connect(self.Rename)
self.edit_.triggered.connect(self.Edit)
def contextMenuEvent(self, pos):
#ContextMenu
index = self.list_view_.indexAt(pos)
if index.isValid():
if self.list_model_.IsEditable(index.row()):
self.context_menu_.popup(QtWidgets.QCursor.pos())
else:
self.immucontext_menu_.popup(QtWidgets.QCursor.pos())
def Add(self):
row = self.list_model_.GetLastRow()
preset = Preset(datetime.now().isoformat(' '))
self.preset_editor_.SetPreset(preset)
if (self.preset_editor_.exec_()):
if self.list_model_.AddItem(preset, row, True, True):
index = self.list_model_.index(row)
self.list_view_.setCurrentIndex(index)
self.Rename()
def Remove(self):
if (self.list_view_.currentIndex().isValid()):
ret = QtWidgets.QMessageBox.warning(
self, "Delete Preset", "Delete Preset?",
QtWidgets.QMessageBox.Yes | QtWidgets.QMessageBox.No)
if ret == QtWidgets.QMessageBox.Yes:
self.list_model_.RemoveItem(
self.list_view_.currentIndex().row())
def Edit(self):
if (self.list_view_.currentIndex().isValid()):
preset = self.list_model_.GetPreset(self.list_view_.currentIndex())
self.preset_editor_.SetPreset(preset)
if (self.preset_editor_.exec_()):
row = self.list_view_.currentIndex().row()
self.list_model_.RemoveItem(row)
self.list_model_.AddItem(preset, row, True, True)
def LoadCurrentIndex(self):
if (self.list_view_.currentIndex().isValid()):
self.Load(self.list_view_.currentIndex())
def Load(self, index):
if (index.isValid()):
scene_selection = gui.SceneSelection.Instance()
preset = self.list_model_.GetPreset(index)
for i in range(0, scene_selection.GetActiveNodeCount()):
node = scene_selection.GetActiveNode(i)
if isinstance(node, gfx.Entity):
node.CleanColorOps()
preset.ApplyOn(node)
def ChangeColor(self, node):
self.LoadCurrentIndex()
def Update(self):
self.setEnabled(True)
if SelHelper().CheckAllFlags(SelHelper.NO_SELECTION):
self.setEnabled(False)
return
if SelHelper().CheckNotFlags(SelHelper.HAS_ENTITY
| SelHelper.IS_ONE_TYPE):
self.setEnabled(False)
return
def Rename(self):
if (self.list_view_.currentIndex().isValid()):
self.list_view_.edit(self.list_view_.currentIndex())
def GetText(self):
return self.text_
class GradientListModel(QtCore.QAbstractListModel):
IMMUTABLE_GRADIENTS_PATH = os.path.join(ost.GetSharedDataPath(),"scene",
"gradients.xml")
MUTABLE_GRADIENTS_PATH = "user_gradients.xml"
dataChanged = QtCore.pyqtSignal(int, int, name="dataChanged")
def __init__(self, parent=None, *args):
QtCore.QAbstractListModel.__init__(self, parent, *args)
self.data_ = list()
#Info Handler
self.immutable_infoh_ = ImmutableGradientInfoHandler(GradientListModel.IMMUTABLE_GRADIENTS_PATH)
self.infoh_ = GradientInfoHandler(GradientListModel.MUTABLE_GRADIENTS_PATH)
self.LoadGradientFromInfo()
def AddItem(self, name, gradient, row, editable, save):
if self.NameIsValid(name):
icon = self.GetIcon(gradient)
self.insertRow(row, QtCore.QModelIndex())
self.data_[row] = [name, gradient, icon, editable]
model_index = self.createIndex(row,0)
index = self.index(row)
end_index = self.createIndex(self.rowCount(),0)
if save:
self.AddGradientToInfo(gradient,name)
self.dataChanged.emit(model_index, end_index)
return True
return False
def IsEditable(self, row):
return self.data_[row][3]
def RemoveItem(self, row):
if self.IsEditable(row):
name = self.data_[row][0]
self.removeRow(row, QtCore.QModelIndex())
model_index = self.createIndex(row,0)
self.infoh_.RemoveGradient(name)
self.dataChanged.emit(model_index, model_index)
return True
return False
def AddGradientToInfo(self,gradient,name):
self.infoh_.StoreQGradient(gradient,str(name))
def LoadGradientFromInfo(self):
if self.immutable_infoh_:
qgradients = self.immutable_infoh_.GetQGradients()
for k, v in qgradients.items():
self.AddItem(k, v, self.GetLastRow(), False, False)
qgradients = self.infoh_.GetQGradients()
for k, v in qgradients.items():
self.AddItem(k, v, self.GetLastRow(), True, False)
def GetGradient(self, model_index):
if model_index.isValid():
return self.data_[model_index.row()][1]
def GetLastRow(self):
return self.rowCount()
#Helper
def GetIcon(self, gradient):
pixmap = QtGui.QPixmap(64, 64)
pixmap.fill(QtCore.Qt.transparent)
painter = QtGui.QPainter()
if painter.begin(pixmap):
gradient.setStart(QtCore.QPointF(0, 0))
gradient.setFinalStop(QtCore.QPointF(64, 0))
brush = QtGui.QBrush(gradient)
painter.setBrush(brush)
painter.drawRect(0, 0, 64, 64)
painter.end()
return QtGui.QIcon(pixmap)
def NameIsValid(self, string):
if len(string)==0:
return False
for values in self.data_:
if string == values[0]:
return False
return True
#Overwritten Methods
def rowCount(self, parent=QtCore.QModelIndex()):
return len(self.data_)
def data(self, index, role):
if index.isValid() and index.row()< self.rowCount():
data = self.data_[index.row()]
if role == QtCore.Qt.DisplayRole:
return QtCore.QVariant(data[0])
elif role == QtCore.Qt.DecorationRole:
return QtCore.QVariant(data[2])
return QtCore.QVariant()
def setData(self, index, value, role):
if index.isValid():
row = index.row()
if not self.data_[row]:
self.data_[row] = list()
if role == QtCore.Qt.EditRole and self.NameIsValid(value.toString()):
old_name = str(self.data_[row][0])
new_name = value.toString()
self.data_[row][0] = new_name
self.infoh_.RenameGradient(old_name,str(new_name))
self.dataChanged.emit(index, index)
return True
elif role == QtCore.Qt.DisplayRole:
self.data_[row][0] = value.toString()
elif role == QtCore.Qt.DecorationRole:
self.data_[row][2] = value.toPyObject()
return False
def flags(self, index):
if index.isValid():
flags = QtCore.QAbstractItemModel.flags(self,index)
if self.IsEditable(index.row()):
return flags | QtCore.Qt.ItemIsEditable
else:
return flags
return QtCore.Qt.ItemIsEnabled
def insertRow(self, position, index):
self.beginInsertRows(index, position, position)
self.data_.insert(position,list())
self.endInsertRows()
return True
def removeRow(self, position, index):
self.beginRemoveRows(index, position, position)
del self.data_[position]
self.endRemoveRows()
return True