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#!/usr/bin/env python
# -*- coding: utf-8 -*-
"""
Abinit Post Process Application
author: Martin Alexandre
last edited: May 2013
"""
import sys,os
import string, math
#gui
import gui.graph as Graph
#Utility
import utility.analysis as Analysis
try:
from PyQt4 import Qt,QtGui,QtCore
except:
pass
from numpy import sqrt,zeros,conjugate,arange,linspace,exp,log,sin
class winVDOS(QtGui.QWidget):
def __init__(self, pVACF, pDtion, parent = None,name =''):
self.VACF = pVACF
self.name = name
self.dtion = pDtion
self.initUI(parent)
self.displayGraph()
self.raise_()
def initUI(self, parent):
#-----------------Creation of the windows----------------------------#
QtGui.QWidget.__init__(self, parent)
self.setWindowTitle(self.name + ' option')
self.setFixedSize(200, 150)
self.center()
self.layout = QtGui.QGridLayout()
self.setLayout(self.layout)
self.lbl = QtGui.QLabel("Gaussian Width", self)
self.lbl.setFixedWidth(140)
self.sbres = QtGui.QSpinBox()
self.sbres.setMaximum(100)
self.sbres.setMinimum(1)
self.sbres.setValue(8)
self.sbres.setFixedSize(70,20)
self.connect(self.sbres,QtCore.SIGNAL('valueChanged(int )'),self.displayGraph)
self.pbok = QtGui.QPushButton("close")
self.pbok.setFixedSize(70,20)
self.connect(self.pbok,QtCore.SIGNAL("clicked()"),QtCore.SLOT('close()'))
self.checkbox =QtGui.QCheckBox("Show discret spectrum")
self.connect(self.checkbox, QtCore.SIGNAL('clicked()'), self.showSprectrum)
self.layout.addWidget(self.lbl , 1, 0, 1, 1, QtCore.Qt.AlignCenter)
self.layout.addWidget(self.sbres , 1, 1, 1, 1, QtCore.Qt.AlignCenter)
self.layout.addWidget(self.checkbox , 2, 0, 1, 2, QtCore.Qt.AlignCenter)
self.layout.addWidget(self.pbok , 3, 0, 1, 2, QtCore.Qt.AlignCenter)
self.show()
#------------------------------------------------------------------------#
def displayGraph(self):
res = self.sbres.value()
pdos = Analysis.DOS(self.VACF,res,self.dtion)
y = pdos.getDOS()
x = pdos.getFrequencies()
try:
self.GraphDOS.update(x,y,'E (meV)', "Phonons DOS (1/meV)",name = self.name, adjust=True)
except:
self.GraphDOS = Graph.graphic(x,y,'E (meV)', "Phonons DOS (1/meV)", average=False, adjust=True,name = self.name)
self.connect(self.GraphDOS, QtCore.SIGNAL("myCustomizedSignal()"), self.close)
self.GraphDOS.show()
if self.checkbox.isChecked():
self.addSprectum()
def showSprectrum(self):
if self.checkbox.isChecked():
self.addSprectum()
else:
self.displayGraph()
def addSprectum(self):
res = self.sbres.value()
pdos = Analysis.DOS(self.VACF,res,self.dtion)
y = pdos.getSprectumDOS()
x = pdos.getFrequencies()
self.GraphDOS.addPlot(x,y,bar = True)
def center(self):
screen = QtGui.QDesktopWidget().screenGeometry()
size = self.geometry()
self.move((screen.width()-size.width())/2, (screen.height()-size.height())/2)
def close(self):
del self.GraphDOS
del self
def closeEvent(self, event):
try:
del self.GraphDOS
except:
pass
try:
del self
except:
pass
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