markusro/qdsfit
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fixes Issues #3, #4, #6

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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
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28
fileio/gracedriver.py
View File

@ -9,7 +9,9 @@ import numpy as np
class GracePlot(object):
def __init__(self):
def __init__(self, fname):
self.fname = fname
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
@ -33,18 +35,16 @@ class GracePlot(object):
tmp_fd, tmp_name = tempfile.mkstemp()
self.tmpfiles.append(tmp_name)
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 1\n'%(self.data_counter)) # No line
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))
if "ls" in kwds.keys():
@ -121,26 +121,26 @@ class GracePlot(object):
self.cmds.append('LEGEND OFF\n')
def save(self, fname):
def save(self):
self.cmds.append('AUTOSCALE\n')
self.cmds.append('SAVEALL "%s"\n'%fname)
self.cmds.append('SAVEALL "%s"\n'%self.fname)
# write cmds to tmpfile
tmp_fd, tmp_name = tempfile.mkstemp()
self.tmpfiles.append(tmp_name)
tmp_file = open(tmp_name, 'w')
tmp_file.writelines(self.cmds)
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.remove("tmp.tmp")
# 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
last_color_lineno = 0
for i,line in enumerate(data):
if line.lower().startswith("@map color"):
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])
for color in self.color_map:
new_agr.write(self.color_map[color][1])
@ -164,5 +164,5 @@ if __name__ == "__main__":
gr.save("test.agr")
print "created test.agr"
os.system("xmgrace test.agr")
print "deleting test.agr"
#print "deleting test.agr"
#os.remove("test.agr")

41
qds.py
View File

@ -130,11 +130,14 @@ class AppWindow(QMainWindow):
previousFile.triggered.connect(self.previousFile)
fileMenu.addAction(previousFile)
saveFile = QAction("&Save Fit Result", self)
saveFile = QAction("&Save Fit Result (Data)", self)
saveFile.setShortcut(QKeySequence.Save)
saveFile.triggered.connect(self.saveFitResult)
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
fitMenu = self.menuBar().addMenu("Standard Fits")
# lm
@ -313,14 +316,14 @@ class AppWindow(QMainWindow):
pass
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[1])
pars = np.array([pars])
np.savetxt(f, pars, fmt='%-12.3e', delimiter=" ")
f.close()
def _saveFitFigure( self ):
def _saveFitFigure( self , mode="w"):
fig = pyplot.figure(figsize=(3.54*1.4, 2.75*1.4))
font = { 'family': 'sans serif',
@ -348,26 +351,36 @@ class AppWindow(QMainWindow):
pyplot.savefig(os.path.splitext(self.filepath)[0]+".pdf")
fig.clear()
del (fig)
self._saveFitFigureGrace()
self._saveFitFigureGrace(mode)
def _saveFitFigureGrace(self):
grace_plot = fileio.gracedriver.GracePlot()
grace_plot.loglog(self.data.frequency, self.data.epsilon.imag, sym='o', ls="-", label="Data")
grace_plot.loglog(self.data.frequency_fit, self.data.epsilon_fit.imag, sym=None, ls="-", label="Fit")
def _saveFitFigureGrace(self, mode="w"):
fname = os.path.splitext(self.filepath)[0] + ".agr"
if mode == "w":
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
for fcn in self.function_registry.get_registered_functions():
f, eps = fcn.get_data()
label = fcn.id_label
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)
#for i in (0, 1): pyplot.axvline(x=self.data.fit_limits[i], color='b', ls="-", lw=0.5)
grace_plot.legend(True)
grace_plot.xlabel("f / Hz")
grace_plot.ylabel("eps")
print grace_plot.cmds
grace_plot.save(os.path.splitext(self.filepath)[0] + ".agr")
self.grace_plot.legend(True)
self.grace_plot.xlabel("f / Hz")
self.grace_plot.ylabel("eps")
print self.grace_plot.cmds
self.grace_plot.save()
def addContainer(self, selected_container, pos):

13
ui/QDSMain.py
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@ -2,8 +2,8 @@
# Form implementation generated from reading ui file 'ui/QDSMain.ui'
#
# Created: Tue Sep 30 15:34:02 2014
# by: PyQt4 UI code generator 4.11.2
# Created: Fri Jan 9 21:17:26 2015
# by: PyQt4 UI code generator 4.11.3
#
# WARNING! All changes made in this file will be lost!
@ -125,6 +125,11 @@ class Ui_MainWindow(object):
self.actionActionAbortFit.setObjectName(_fromUtf8("actionActionAbortFit"))
self.actionShow_Derivative = QtGui.QAction(MainWindow)
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.menubar.addAction(self.menuExtras.menuAction())
self.menubar.addAction(self.menuConfiguration.menuAction())
@ -136,6 +141,8 @@ class Ui_MainWindow(object):
self.toolBar.addAction(self.actionYAFF)
self.toolBar.addSeparator()
self.toolBar.addAction(self.actionSave_FitResult)
self.toolBar.addAction(self.actionAppend_Fit)
self.toolBar.addSeparator()
self.toolBar.addAction(self.actionActionAbortFit)
self.retranslateUi(MainWindow)
@ -160,6 +167,8 @@ class Ui_MainWindow(object):
self.actionActionAbortFit.setText(_translate("MainWindow", "Abort Fit", None))
self.actionActionAbortFit.setShortcut(_translate("MainWindow", "Ctrl+C", 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
import images_rc

14
ui/QDSMain.ui
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@ -109,6 +109,8 @@
<addaction name="actionYAFF"/>
<addaction name="separator"/>
<addaction name="actionSave_FitResult"/>
<addaction name="actionAppend_Fit"/>
<addaction name="separator"/>
<addaction name="actionActionAbortFit"/>
</widget>
<widget class="QDockWidget" name="dockWidget_3">
@ -221,6 +223,18 @@
<string>Show Derivative</string>
</property>
</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>
<customwidgets>
<customwidget>

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

BIN
ui/icons/qds_icons.graffle
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1170
ui/images_rc.py
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