Fixes Issue #2: preliminary support for xmgrace file creation

fileio/gracedriver.py

@@ -1,21 +1,27 @@
+import re
+import PyQt4.QtGui
+
 __author__ = 'markusro'
 
 
 import tempfile,os
 import numpy as np
 
-class grace:
+
+class GracePlot(object):
     def __init__(self):
         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
-        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,
                         "v":6, "3":6, "4":7,"1":8,
                         "+":8,"x":9,"*":10  }
         self.tmpfiles = []
         self.cmds = []
+        self.color_map = {}  # color map will pbe prepended to the final agr file
         self.data_counter = 0
+        self.color_counter = 8  # keep first 8 colors already defined?
 
     def __del__(self):
         # take care of tmp files:
@@ -23,18 +29,20 @@ class grace:
             os.remove(f)
 
     def plot(self,  x, y, **kwds):
+        # save data to temporary file
         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 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 PATTERN 1\n'%(self.data_counter))
         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():
             label = kwds["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]))
                 if sym in ['+', 'x', '*']:
                     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:
                 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
-        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 ):
@@ -81,6 +122,7 @@ class grace:
 
 
     def save(self, fname):
+        self.cmds.append('AUTOSCALE\n')
         self.cmds.append('SAVEALL "%s"\n'%fname)
         # write cmds to tmpfile
         tmp_fd, tmp_name = tempfile.mkstemp()
@@ -88,21 +130,34 @@ class grace:
         tmp_file = open(tmp_name, 'w')
         tmp_file.writelines(self.cmds)
         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.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__":
     print "Testing Grace driver"
     np.random.seed(1337) # make it reproducible
     nums = 30
-    gr = grace()
+    gr = GracePlot()
     t = np.linspace(0,1,nums)
     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,
                 ls=gr.ls_map.keys()[i%(len(gr.ls_map))],
                 sym=gr.sym_map.keys()[i%(len(gr.sym_map))],
+                color="red"
                 )
     gr.xlabel(r"xlabel / \xm\sl\N\0")
     gr.ylabel(r"ylabel / \xt\sS\N\0")
@@ -110,4 +165,4 @@ if __name__ == "__main__":
     print "created test.agr"
     os.system("xmgrace test.agr")
     print "deleting test.agr"
-    os.remove("test.agr")
+    #os.remove("test.agr")

gui/container_widgets.py

@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 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.QtCore import QRegExp, pyqtSignal,pyqtSlot
@@ -114,7 +114,6 @@ class BaseWidget(QGroupBox):
             self.errors[i].setStyleSheet(sd_style)
             self.errors[i].setText(sd)
         self.blockSignals(False)
-        #self.update()
 
     def replaceDoubleSpinBox(self, layout, widget):
         ndx = layout.indexOf(widget)
@@ -124,7 +123,6 @@ class BaseWidget(QGroupBox):
         layout.addWidget(widget, row,column)
 
 
-
 class PeakWidget(BaseWidget,QGroupBox):
     def __init__(self, parent=None):
         QGroupBox.__init__(self)

qds.py

@@ -1,5 +1,6 @@
 #!/usr/bin/env python
 # -*- encoding: utf-8 -*-
+import fileio.gracedriver
 
 _author_ = "Markus Rosenstihl"
 
@@ -30,7 +31,7 @@ from libmath.BDSlib import FunctionRegister, FitRoutine
 from data.experimental import Data
 from gui import ExtraDifferentialWidget
 
-from bds_io import bds_file_reader
+from fileio import bds_file_reader
 
 
 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)
         pars = []
         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
 
         for i_fcn, fcn in enumerate(self.function_registry.get_registered_functions()):
@@ -312,7 +313,7 @@ class AppWindow(QMainWindow):
             pass
 
         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[1])
         pars = np.array([pars])
@@ -347,12 +348,27 @@ class AppWindow(QMainWindow):
         pyplot.savefig(os.path.splitext(self.filepath)[0]+".pdf")
         fig.clear()
         del (fig)
+        self._saveFitFigureGrace()
 
     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):
         _cont = selected_container(plt_real=self.ui.pgPlotWidget_real,