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# 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)
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