Fixes Issue #2: preliminary support for xmgrace file creation

This commit is contained in:
Markus Rosenstihl 2015-01-09 11:58:43 +01:00
parent 7b9f79ab13
commit 068b621ff2
5 changed files with 92 additions and 23 deletions

View File

@ -1,21 +1,27 @@
import re
import PyQt4.QtGui
__author__ = 'markusro' __author__ = 'markusro'
import tempfile,os import tempfile,os
import numpy as np import numpy as np
class grace:
class GracePlot(object):
def __init__(self): def __init__(self):
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
self.sym_map = {"None":0, "o":1, "s":2, self.sym_map = {None:0, "None":0, "o":1, "s":2,
"d":3, "D":4, "2":5, "d":3, "D":4, "2":5,
"v":6, "3":6, "4":7,"1":8, "v":6, "3":6, "4":7,"1":8,
"+":8,"x":9,"*":10 } "+":8,"x":9,"*":10 }
self.tmpfiles = [] self.tmpfiles = []
self.cmds = [] self.cmds = []
self.color_map = {} # color map will pbe prepended to the final agr file
self.data_counter = 0 self.data_counter = 0
self.color_counter = 8 # keep first 8 colors already defined?
def __del__(self): def __del__(self):
# take care of tmp files: # take care of tmp files:
@ -23,18 +29,20 @@ class grace:
os.remove(f) os.remove(f)
def plot(self, x, y, **kwds): def plot(self, x, y, **kwds):
# save data to temporary file
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() #tmp_fd.close()
# read data in xmgrace
self.cmds.append('READ NXY "%s"\n'%tmp_name) 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 SIZE 0.7\n'%(self.data_counter))
self.cmds.append('S%i SYMBOL COLOR 1\n'%(self.data_counter))
#self.cmds.append('S%i SYMBOL FILL COLOR %i\n'%(self.data_counter, self.data_counter)) #self.cmds.append('S%i SYMBOL FILL COLOR %i\n'%(self.data_counter, 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
#self.cmds.append('S%i LINE COLOR %i\n'%(self.data_counter, self.data_counter))
if "label" in kwds.keys(): if "label" in kwds.keys():
label = kwds["label"] label = kwds["label"]
self.cmds.append('S%i LEGEND "%s"\n'%(self.data_counter, label)) self.cmds.append('S%i LEGEND "%s"\n'%(self.data_counter, label))
@ -50,17 +58,50 @@ class grace:
self.cmds.append('S%i SYMBOL %i\n'%(self.data_counter, self.sym_map[sym])) self.cmds.append('S%i SYMBOL %i\n'%(self.data_counter, self.sym_map[sym]))
if sym in ['+', 'x', '*']: if sym in ['+', 'x', '*']:
self.cmds.append('S%i SYMBOL COLOR %i\n'%(self.data_counter, self.data_counter)) self.cmds.append('S%i SYMBOL COLOR %i\n'%(self.data_counter, self.data_counter))
else:
self.cmds.append('S%i SYMBOL COLOR %i\n' % (self.data_counter, 1)) # vlack symbol outline
else: else:
print "Symbol not known: %s"%sym print "Symbol not known: %s"%sym
if "color" in kwds.keys():
color = str(PyQt4.QtGui.QColor(kwds["color"]).getRgb()[:3])
if color in self.color_map.keys():
color_id = self.color_map[color][0]
else:
self.color_map[color] = [
self.color_counter,
"@MAP COLOR %i TO %s, \"qds%i\" \n"% (self.color_counter, color, self.color_counter)
]
color_id = self.color_counter
self.color_counter += 1
self.cmds.append('S%i SYMBOL FILL COLOR %i\n' % (self.data_counter, color_id))
# if "label" in kwds.keys(): self.cmds.append('S%i LINE COLOR %i\n' % (self.data_counter, color_id))
# label = kwds["label"]
# self.cmds.append('S%i LEGEND "%s"\n'%(self.data_counter, label))
self.data_counter += 1 self.data_counter += 1
pass
def loglog(self, x,y, **kwds):
self.cmds.append('YAXES SCALE LOGARITHMIC\n')
self.cmds.append("YAXIS TICKLABEL FORMAT POWER\n")
self.cmds.append("YAXIS TICKLABEL PREC 0\n")
self.cmds.append('XAXES SCALE LOGARITHMIC\n')
self.cmds.append("XAXIS TICKLABEL FORMAT POWER\n")
self.cmds.append("XAXIS TICKLABEL PREC 0\n")
self.plot(x, y, **kwds)
def semilogx(self, x, y, **kwds):
self.cmds.append('XAXES SCALE LOGARITHMIC\n')
self.cmds.append("xAXIS TICKLABEL FORMAT POWER\n")
self.cmds.append("xAXIS TICKLABEL PREC 0\n")
self.plot(x, y, **kwds)
def semilogy(self, x, y, **kwds):
self.cmds.append('YAXES SCALE LOGARITHMIC\n')
self.cmds.append("YAXIS TICKLABEL FORMAT POWER\n")
self.cmds.append("YAXIS TICKLABEL PREC 0\n")
self.plot(x, y, **kwds)
def xlabel(self, label ): def xlabel(self, label ):
@ -81,6 +122,7 @@ class grace:
def save(self, fname): def save(self, fname):
self.cmds.append('AUTOSCALE\n')
self.cmds.append('SAVEALL "%s"\n'%fname) self.cmds.append('SAVEALL "%s"\n'%fname)
# write cmds to tmpfile # write cmds to tmpfile
tmp_fd, tmp_name = tempfile.mkstemp() tmp_fd, tmp_name = tempfile.mkstemp()
@ -88,21 +130,34 @@ class grace:
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 tmpfile # excecute tempraray 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
with file(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:
new_agr.writelines(data[:last_color_lineno])
for color in self.color_map:
new_agr.write(self.color_map[color][1])
new_agr.writelines(data[last_color_lineno:])
if __name__ == "__main__": if __name__ == "__main__":
print "Testing Grace driver" print "Testing Grace driver"
np.random.seed(1337) # make it reproducible np.random.seed(1337) # make it reproducible
nums = 30 nums = 30
gr = grace() gr = GracePlot()
t = np.linspace(0,1,nums) t = np.linspace(0,1,nums)
for i in xrange(30): for i in xrange(30):
gr.plot(t, i + np.sin(2*np.pi * 3 * t + i*0.33 ) + 0.3*np.random.random(nums), gr.loglog(t, i + np.sin(2*np.pi * 3 * t + i*0.33 ) + 0.3*np.random.random(nums),
label="label %i"%i, label="label %i"%i,
ls=gr.ls_map.keys()[i%(len(gr.ls_map))], ls=gr.ls_map.keys()[i%(len(gr.ls_map))],
sym=gr.sym_map.keys()[i%(len(gr.sym_map))], sym=gr.sym_map.keys()[i%(len(gr.sym_map))],
color="red"
) )
gr.xlabel(r"xlabel / \xm\sl\N\0") gr.xlabel(r"xlabel / \xm\sl\N\0")
gr.ylabel(r"ylabel / \xt\sS\N\0") gr.ylabel(r"ylabel / \xt\sS\N\0")
@ -110,4 +165,4 @@ if __name__ == "__main__":
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")

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@ -2,7 +2,7 @@
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
from ui import ConductivityGroupBox, PeakGroupBox, StaticGroupBox, PowerLawGroupBox, YAFFparameters, YAFFConfig from ui import ConductivityGroupBox, PeakGroupBox, StaticGroupBox, PowerLawGroupBox, YAFFparameters, YAFFConfig
__author__ = 'markusro' __author__ = 'Markus Rosenstihl <markus.rosenstihl@physik.tu-darmstadt.de>'
from PyQt4.QtGui import * from PyQt4.QtGui import *
from PyQt4.QtCore import QRegExp, pyqtSignal,pyqtSlot from PyQt4.QtCore import QRegExp, pyqtSignal,pyqtSlot
@ -114,7 +114,6 @@ class BaseWidget(QGroupBox):
self.errors[i].setStyleSheet(sd_style) self.errors[i].setStyleSheet(sd_style)
self.errors[i].setText(sd) self.errors[i].setText(sd)
self.blockSignals(False) self.blockSignals(False)
#self.update()
def replaceDoubleSpinBox(self, layout, widget): def replaceDoubleSpinBox(self, layout, widget):
ndx = layout.indexOf(widget) ndx = layout.indexOf(widget)
@ -124,7 +123,6 @@ class BaseWidget(QGroupBox):
layout.addWidget(widget, row,column) layout.addWidget(widget, row,column)
class PeakWidget(BaseWidget,QGroupBox): class PeakWidget(BaseWidget,QGroupBox):
def __init__(self, parent=None): def __init__(self, parent=None):
QGroupBox.__init__(self) QGroupBox.__init__(self)

28
qds.py
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@ -1,5 +1,6 @@
#!/usr/bin/env python #!/usr/bin/env python
# -*- encoding: utf-8 -*- # -*- encoding: utf-8 -*-
import fileio.gracedriver
_author_ = "Markus Rosenstihl" _author_ = "Markus Rosenstihl"
@ -30,7 +31,7 @@ from libmath.BDSlib import FunctionRegister, FitRoutine
from data.experimental import Data from data.experimental import Data
from gui import ExtraDifferentialWidget from gui import ExtraDifferentialWidget
from bds_io import bds_file_reader from fileio import bds_file_reader
class AppWindow(QMainWindow): class AppWindow(QMainWindow):
@ -265,7 +266,7 @@ class AppWindow(QMainWindow):
pre_header += "# Time: {time}\n# SessionID={id}\n".format(time=time.strftime("%H:%M:%S"), id=self.session_id) pre_header += "# Time: {time}\n# SessionID={id}\n".format(time=time.strftime("%H:%M:%S"), id=self.session_id)
pars = [] pars = []
base_filename, file_ext = os.path.splitext(self.filepath) base_filename, file_ext = os.path.splitext(self.filepath)
header = "{n1:13}{n2:13}".format(n1="# 0:T", n2="1:invT") header = "{n1:13}{n2:13}".format(n1="# 0:T", n2="1:1000/T")
varnum = 2 # T, invT are the first two columns varnum = 2 # T, invT are the first two columns
for i_fcn, fcn in enumerate(self.function_registry.get_registered_functions()): for i_fcn, fcn in enumerate(self.function_registry.get_registered_functions()):
@ -312,7 +313,7 @@ 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["1000/T"]) pars.insert(1, 1e3/self.data.meta["invT"])
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])
@ -347,12 +348,27 @@ 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()
def _saveFitFigureGrace(self): def _saveFitFigureGrace(self):
#agrtemplate = open('template.agr').read() grace_plot = fileio.gracedriver.GracePlot()
agrtemplate = """ 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")
# 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)
# 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")
"""
def addContainer(self, selected_container, pos): def addContainer(self, selected_container, pos):
_cont = selected_container(plt_real=self.ui.pgPlotWidget_real, _cont = selected_container(plt_real=self.ui.pgPlotWidget_real,