# Copyright 2004-2009 Nanorex, Inc. See LICENSE file for details. """ GroupProp.py $Id$ """ import sys from PyQt4.Qt import QDialog, QListWidgetItem, SIGNAL from commands.GroupProperties.GroupPropDialog import Ui_GroupPropDialog from geometry.VQT import V class Statistics: def __init__(self, group): # Get statistics of group. group.init_statistics(self) group.getstatistics(self) def display(self, statsView): """ Display the statistics in the listview widget 'statsView' """ # Subtract singlets from total number of atoms self.num_atoms = self.natoms - self.nsinglets item = QListWidgetItem() item.setText("Measure Dihedral:" + str(self.num_mdihedral)) statsView.addItem(item) item = QListWidgetItem() item.setText("Measure Angle:" + str(self.num_mangle)) statsView.addItem(item) item = QListWidgetItem() item.setText("Measure Distance:" + str(self.num_mdistance)) statsView.addItem(item) item = QListWidgetItem() item.setText("Grid Plane:" + str(self.num_gridplane)) statsView.addItem(item) item = QListWidgetItem() item.setText("ESP Image:" + str(self.num_espimage)) statsView.addItem(item) item = QListWidgetItem() if sys.platform == "win32": item.setText("PC GAMESS:" + str(self.ngamess)) else: item.setText("GAMESS:" + str(self.ngamess)) statsView.addItem(item) item = QListWidgetItem() item.setText("Thermometers:" + str(self.nthermos)) statsView.addItem(item) item = QListWidgetItem() item.setText("Thermostats:" + str(self.nstats)) statsView.addItem(item) item = QListWidgetItem() item.setText("Anchors:" + str(self.nanchors)) statsView.addItem(item) item = QListWidgetItem() item.setText("Linear Motors:" + str(self.nlmotors)) statsView.addItem(item) item = QListWidgetItem() item.setText("Rotary Motors:" + str(self.nrmotors)) statsView.addItem(item) item = QListWidgetItem() item.setText("Groups:" + str(self.ngroups)) statsView.addItem(item) item = QListWidgetItem() item.setText("Bondpoints:" + str(self.nsinglets)) statsView.addItem(item) item = QListWidgetItem() item.setText("Atoms:" + str(self.num_atoms)) statsView.addItem(item) item = QListWidgetItem() item.setText("Chunks:" + str(self.nchunks)) statsView.addItem(item) class GroupProp(QDialog, Ui_GroupPropDialog): def __init__(self, group): QDialog.__init__(self) self.setupUi(self) self.connect(self.okPushButton,SIGNAL("clicked()"),self.accept) self.connect(self.cancelPushButton,SIGNAL("clicked()"),self.reject) self.group = group self.nameLineEdit.setText(group.name) # Get statistics of group and display them in the statView widget. stats = Statistics(group) stats.display(self.statsView) ################# # Cancel Button ################# def reject(self): QDialog.reject(self) ################# # OK Button ################# def accept(self): self.group.try_rename(self.nameLineEdit.text()) QDialog.accept(self)