fixes Issues #3, #4, #6

This commit is contained in:
Markus Rosenstihl 2015-01-13 18:36:24 +01:00
parent 068b621ff2
commit 410902b753
7 changed files with 1241 additions and 44 deletions

View File

@ -9,7 +9,9 @@ import numpy as np
class GracePlot(object): class GracePlot(object):
def __init__(self): def __init__(self, fname):
self.fname = fname
self.ls_map = {"None":0, "-":1, ":":2, "--":3, "-.":4 } self.ls_map = {"None":0, "-":1, ":":2, "--":3, "-.":4 }
# Symbols: 0:None 1:Circle 2:Square 3:Diamond 4:Triangle 5:up 6:left 7:down 8:right, 9:PLus 10:X 11:Star # Symbols: 0:None 1:Circle 2:Square 3:Diamond 4:Triangle 5:up 6:left 7:down 8:right, 9:PLus 10:X 11:Star
@ -33,18 +35,16 @@ class GracePlot(object):
tmp_fd, tmp_name = tempfile.mkstemp() tmp_fd, tmp_name = tempfile.mkstemp()
self.tmpfiles.append(tmp_name) self.tmpfiles.append(tmp_name)
np.savetxt(tmp_name, np.array([x, y]).T) np.savetxt(tmp_name, np.array([x, y]).T)
#tmp_fd.close()
# read data in xmgrace
self.cmds.append('READ NXY "%s"\n'%tmp_name)
self.cmds.append('S%i SYMBOL SIZE 0.7\n'%(self.data_counter))
#self.cmds.append('S%i SYMBOL FILL COLOR %i\n'%(self.data_counter, self.data_counter)) # read data from temporary file
self.cmds.append('READ NXY "%s"\n'%tmp_name)
self.cmds.append('S%i SYMBOL SIZE 0.5\n'%(self.data_counter))
self.cmds.append('S%i SYMBOL FILL PATTERN 1\n'%(self.data_counter)) self.cmds.append('S%i SYMBOL FILL PATTERN 1\n'%(self.data_counter))
self.cmds.append('S%i SYMBOL 1\n'%(self.data_counter)) # No line self.cmds.append('S%i SYMBOL 1\n'%(self.data_counter)) # No line
if "label" in kwds.keys(): if "label" in kwds.keys():
label = kwds["label"] # TODO: implement at least greek symbols and lower upper case (_ and ^)?
label = unicode(kwds["label"]).encode('ascii', 'ignore')
self.cmds.append('S%i LEGEND "%s"\n'%(self.data_counter, label)) self.cmds.append('S%i LEGEND "%s"\n'%(self.data_counter, label))
if "ls" in kwds.keys(): if "ls" in kwds.keys():
@ -121,26 +121,26 @@ class GracePlot(object):
self.cmds.append('LEGEND OFF\n') self.cmds.append('LEGEND OFF\n')
def save(self, fname): def save(self):
self.cmds.append('AUTOSCALE\n') self.cmds.append('AUTOSCALE\n')
self.cmds.append('SAVEALL "%s"\n'%fname) self.cmds.append('SAVEALL "%s"\n'%self.fname)
# write cmds to tmpfile # write cmds to tmpfile
tmp_fd, tmp_name = tempfile.mkstemp() tmp_fd, tmp_name = tempfile.mkstemp()
self.tmpfiles.append(tmp_name) self.tmpfiles.append(tmp_name)
tmp_file = open(tmp_name, 'w') tmp_file = open(tmp_name, 'w')
tmp_file.writelines(self.cmds) tmp_file.writelines(self.cmds)
tmp_file.close() tmp_file.close()
# excecute tempraray xmgrace file to create final agr # excecute temporary xmgrace file to create final agr
os.system("xmgrace -batch %s -hardcopy -nosafe -printfile tmp.tmp" % tmp_name) os.system("xmgrace -batch %s -hardcopy -nosafe -printfile tmp.tmp" % tmp_name)
os.remove("tmp.tmp") os.remove("tmp.tmp")
# prepend color map to the new file # prepend color map to the new file
with file(fname, 'r') as original_agr: data = original_agr.readlines() with file(self.fname, 'r') as original_agr: data = original_agr.readlines()
# get the last "@map color ..." line # get the last "@map color ..." line
last_color_lineno = 0 last_color_lineno = 0
for i,line in enumerate(data): for i,line in enumerate(data):
if line.lower().startswith("@map color"): if line.lower().startswith("@map color"):
last_color_lineno = i+1 last_color_lineno = i+1
with file(fname, 'w') as new_agr: with file(self.fname, 'w') as new_agr:
new_agr.writelines(data[:last_color_lineno]) new_agr.writelines(data[:last_color_lineno])
for color in self.color_map: for color in self.color_map:
new_agr.write(self.color_map[color][1]) new_agr.write(self.color_map[color][1])
@ -164,5 +164,5 @@ if __name__ == "__main__":
gr.save("test.agr") gr.save("test.agr")
print "created test.agr" print "created test.agr"
os.system("xmgrace test.agr") os.system("xmgrace test.agr")
print "deleting test.agr" #print "deleting test.agr"
#os.remove("test.agr") #os.remove("test.agr")

41
qds.py
View File

@ -130,11 +130,14 @@ class AppWindow(QMainWindow):
previousFile.triggered.connect(self.previousFile) previousFile.triggered.connect(self.previousFile)
fileMenu.addAction(previousFile) fileMenu.addAction(previousFile)
saveFile = QAction("&Save Fit Result", self) saveFile = QAction("&Save Fit Result (Data)", self)
saveFile.setShortcut(QKeySequence.Save) saveFile.setShortcut(QKeySequence.Save)
saveFile.triggered.connect(self.saveFitResult) saveFile.triggered.connect(self.saveFitResult)
fileMenu.addAction(saveFile) fileMenu.addAction(saveFile)
self.ui.actionSave_FitResult.triggered.connect(lambda: self._saveFitFigure(mode="w"))
self.ui.actionAppend_Fit.triggered.connect(lambda: self._saveFitFigure(mode="a"))
# fitting methods # fitting methods
fitMenu = self.menuBar().addMenu("Standard Fits") fitMenu = self.menuBar().addMenu("Standard Fits")
# lm # lm
@ -313,14 +316,14 @@ class AppWindow(QMainWindow):
pass pass
pars.insert(0, self.data.meta["T"]) pars.insert(0, self.data.meta["T"])
pars.insert(1, 1e3/self.data.meta["invT"]) pars.insert(1, 1e3/self.data.meta["T"])
pars.append(self.data.fit_limits[0]) pars.append(self.data.fit_limits[0])
pars.append(self.data.fit_limits[1]) pars.append(self.data.fit_limits[1])
pars = np.array([pars]) pars = np.array([pars])
np.savetxt(f, pars, fmt='%-12.3e', delimiter=" ") np.savetxt(f, pars, fmt='%-12.3e', delimiter=" ")
f.close() f.close()
def _saveFitFigure( self ): def _saveFitFigure( self , mode="w"):
fig = pyplot.figure(figsize=(3.54*1.4, 2.75*1.4)) fig = pyplot.figure(figsize=(3.54*1.4, 2.75*1.4))
font = { 'family': 'sans serif', font = { 'family': 'sans serif',
@ -348,26 +351,36 @@ class AppWindow(QMainWindow):
pyplot.savefig(os.path.splitext(self.filepath)[0]+".pdf") pyplot.savefig(os.path.splitext(self.filepath)[0]+".pdf")
fig.clear() fig.clear()
del (fig) del (fig)
self._saveFitFigureGrace() self._saveFitFigureGrace(mode)
def _saveFitFigureGrace(self): def _saveFitFigureGrace(self, mode="w"):
grace_plot = fileio.gracedriver.GracePlot() fname = os.path.splitext(self.filepath)[0] + ".agr"
grace_plot.loglog(self.data.frequency, self.data.epsilon.imag, sym='o', ls="-", label="Data") if mode == "w":
grace_plot.loglog(self.data.frequency_fit, self.data.epsilon_fit.imag, sym=None, ls="-", label="Fit") self.grace_plot = fileio.gracedriver.GracePlot(fname)
elif mode == "a":
# FIXME: very ugly hack, should be global variable?
# Check if self.grace_plot attribute exists
try:
self.grace_plot is not None
except AttributeError:
self.grace_plot = fileio.gracedriver.GracePlot(fname)
self.grace_plot.loglog(self.data.frequency, self.data.epsilon.imag, sym='o', ls="-", label="Data")
self.grace_plot.loglog(self.data.frequency_fit, self.data.epsilon_fit.imag, sym=None, ls="-", label="Fit")
# loop over functions and add data to plot # loop over functions and add data to plot
for fcn in self.function_registry.get_registered_functions(): for fcn in self.function_registry.get_registered_functions():
f, eps = fcn.get_data() f, eps = fcn.get_data()
label = fcn.id_label label = fcn.id_label
color = hex2color(str(fcn.color.name())) color = hex2color(str(fcn.color.name()))
grace_plot.loglog(f, eps[1], ls=":", color=color, sym=None, label=label) self.grace_plot.loglog(f, eps[1], ls=":", color=color, sym=None, label=label)
# vertical lines (fit limits) # vertical lines (fit limits)
#for i in (0, 1): pyplot.axvline(x=self.data.fit_limits[i], color='b', ls="-", lw=0.5) #for i in (0, 1): pyplot.axvline(x=self.data.fit_limits[i], color='b', ls="-", lw=0.5)
grace_plot.legend(True) self.grace_plot.legend(True)
grace_plot.xlabel("f / Hz") self.grace_plot.xlabel("f / Hz")
grace_plot.ylabel("eps") self.grace_plot.ylabel("eps")
print grace_plot.cmds print self.grace_plot.cmds
grace_plot.save(os.path.splitext(self.filepath)[0] + ".agr") self.grace_plot.save()
def addContainer(self, selected_container, pos): def addContainer(self, selected_container, pos):

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@ -2,8 +2,8 @@
# Form implementation generated from reading ui file 'ui/QDSMain.ui' # Form implementation generated from reading ui file 'ui/QDSMain.ui'
# #
# Created: Tue Sep 30 15:34:02 2014 # Created: Fri Jan 9 21:17:26 2015
# by: PyQt4 UI code generator 4.11.2 # by: PyQt4 UI code generator 4.11.3
# #
# WARNING! All changes made in this file will be lost! # WARNING! All changes made in this file will be lost!
@ -125,6 +125,11 @@ class Ui_MainWindow(object):
self.actionActionAbortFit.setObjectName(_fromUtf8("actionActionAbortFit")) self.actionActionAbortFit.setObjectName(_fromUtf8("actionActionAbortFit"))
self.actionShow_Derivative = QtGui.QAction(MainWindow) self.actionShow_Derivative = QtGui.QAction(MainWindow)
self.actionShow_Derivative.setObjectName(_fromUtf8("actionShow_Derivative")) self.actionShow_Derivative.setObjectName(_fromUtf8("actionShow_Derivative"))
self.actionAppend_Fit = QtGui.QAction(MainWindow)
icon6 = QtGui.QIcon()
icon6.addPixmap(QtGui.QPixmap(_fromUtf8(":/icons/append_save_fit.png")), QtGui.QIcon.Normal, QtGui.QIcon.Off)
self.actionAppend_Fit.setIcon(icon6)
self.actionAppend_Fit.setObjectName(_fromUtf8("actionAppend_Fit"))
self.menuExtras.addAction(self.actionShow_Derivative) self.menuExtras.addAction(self.actionShow_Derivative)
self.menubar.addAction(self.menuExtras.menuAction()) self.menubar.addAction(self.menuExtras.menuAction())
self.menubar.addAction(self.menuConfiguration.menuAction()) self.menubar.addAction(self.menuConfiguration.menuAction())
@ -136,6 +141,8 @@ class Ui_MainWindow(object):
self.toolBar.addAction(self.actionYAFF) self.toolBar.addAction(self.actionYAFF)
self.toolBar.addSeparator() self.toolBar.addSeparator()
self.toolBar.addAction(self.actionSave_FitResult) self.toolBar.addAction(self.actionSave_FitResult)
self.toolBar.addAction(self.actionAppend_Fit)
self.toolBar.addSeparator()
self.toolBar.addAction(self.actionActionAbortFit) self.toolBar.addAction(self.actionActionAbortFit)
self.retranslateUi(MainWindow) self.retranslateUi(MainWindow)
@ -160,6 +167,8 @@ class Ui_MainWindow(object):
self.actionActionAbortFit.setText(_translate("MainWindow", "Abort Fit", None)) self.actionActionAbortFit.setText(_translate("MainWindow", "Abort Fit", None))
self.actionActionAbortFit.setShortcut(_translate("MainWindow", "Ctrl+C", None)) self.actionActionAbortFit.setShortcut(_translate("MainWindow", "Ctrl+C", None))
self.actionShow_Derivative.setText(_translate("MainWindow", "Show Derivative", None)) self.actionShow_Derivative.setText(_translate("MainWindow", "Show Derivative", None))
self.actionAppend_Fit.setText(_translate("MainWindow", "Append Fit", None))
self.actionAppend_Fit.setToolTip(_translate("MainWindow", "Appends current plot to existing plot.", None))
from pyqtgraph import PlotWidget from pyqtgraph import PlotWidget
import images_rc import images_rc

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@ -109,6 +109,8 @@
<addaction name="actionYAFF"/> <addaction name="actionYAFF"/>
<addaction name="separator"/> <addaction name="separator"/>
<addaction name="actionSave_FitResult"/> <addaction name="actionSave_FitResult"/>
<addaction name="actionAppend_Fit"/>
<addaction name="separator"/>
<addaction name="actionActionAbortFit"/> <addaction name="actionActionAbortFit"/>
</widget> </widget>
<widget class="QDockWidget" name="dockWidget_3"> <widget class="QDockWidget" name="dockWidget_3">
@ -221,6 +223,18 @@
<string>Show Derivative</string> <string>Show Derivative</string>
</property> </property>
</action> </action>
<action name="actionAppend_Fit">
<property name="icon">
<iconset resource="icons/images.qrc">
<normaloff>:/icons/append_save_fit.png</normaloff>:/icons/append_save_fit.png</iconset>
</property>
<property name="text">
<string>Append Fit</string>
</property>
<property name="toolTip">
<string>Appends current plot to existing plot.</string>
</property>
</action>
</widget> </widget>
<customwidgets> <customwidgets>
<customwidget> <customwidget>

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@ -1,6 +1,7 @@
<RCC> <RCC>
<qresource prefix="icons"> <qresource prefix="icons">
<file>add_cond.svg</file> <file>add_cond.svg</file>
<file>append_save_fit.png</file>
<file>add_yaff.png</file> <file>add_yaff.png</file>
<file>add_eps_infty.png</file> <file>add_eps_infty.png</file>
<file>qds_fit_abort.png</file> <file>qds_fit_abort.png</file>

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