#!/usr/bin/env python #/*########################################################################## # Copyright (C) 2004-2012 European Synchrotron Radiation Facility # # This file is part of the PyMca X-ray Fluorescence Toolkit developed at # the ESRF by the Software group. # # This toolkit is free software; you can redistribute it and/or modify it # under the terms of the GNU General Public License as published by the Free # Software Foundation; either version 2 of the License, or (at your option) # any later version. # # PyMca is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU General Public License for more # details. # # You should have received a copy of the GNU General Public License along with # PyMca; if not, write to the Free Software Foundation, Inc., # 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # PyMca follows the dual licensing model of Riverbank's PyQt and cannot be # used as a free plugin for a non-free program. # # Please contact the ESRF industrial unit (industry@esrf.fr) if this license # is a problem for you. #############################################################################*/ import sys import numpy from PyMca import PyMcaQt as qt QTVERSION = qt.qVersion() """ This module implements an info widget containing : - source name, scan name - h,k,l infos - peak, peak position - fwhm, center of fwhm - center of mass """ DEBUG=0 STATISTICS=1 class SpecArithmetic(object): """ This class tries to mimic SPEC operations. Correct peak positions and fwhm information have to be made via a fit. """ def search_peak(self, xdata,ydata): """ Search a peak and its position in arrays xdata ad ydata. Return three integer: - peak position - peak value - index of peak position in array xdata This result may accelerate the fwhm search. """ ymax = max(ydata) idx = self.__give_index(ymax,ydata) return xdata[idx],ymax,idx def search_com(self, xdata,ydata): """ Return the center of mass in arrays xdata and ydata """ num = numpy.sum(xdata*ydata) denom = numpy.sum(ydata) if abs(denom) > 0: result = num/denom else: result = 0 return result def search_fwhm(self, xdata,ydata,peak=None,index=None): """ Search a fwhm and its center in arrays xdata and ydatas. If no fwhm is found, (0,0) is returned. peak and index which are coming from search_peak result, may accelerate calculation """ if peak is None or index is None: x,mypeak,index_peak = self.search_peak(xdata,ydata) else: mypeak = peak index_peak = index hm = mypeak/2 idx = index_peak try: while ydata[idx] >= hm: idx = idx-1 x0 = float(xdata[idx]) x1 = float(xdata[idx+1]) y0 = float(ydata[idx]) y1 = float(ydata[idx+1]) lhmx = (hm*(x1-x0) - (y0*x1)+(y1*x0)) / (y1-y0) except ZeroDivisionError: lhmx = 0 except IndexError: lhmx = xdata[0] idx = index_peak try: while ydata[idx] >= hm: idx = idx+1 x0 = float(xdata[idx-1]) x1 = float(xdata[idx]) y0 = float(ydata[idx-1]) y1 = float(ydata[idx]) uhmx = (hm*(x1-x0) - (y0*x1)+(y1*x0)) / (y1-y0) except ZeroDivisionError: uhmx = 0 except IndexError: uhmx = xdata[-1] FWHM = uhmx - lhmx CFWHM = (uhmx+lhmx)/2 return FWHM,CFWHM def __give_index(self, elem,array): """ Return the index of elem in array """ mylist = array.tolist() return mylist.index(elem) class HKL(qt.QWidget): def __init__(self, parent = None, h= "", k= "", l=""): qt.QWidget.__init__(self, parent) layout = qt.QHBoxLayout(self) layout.setMargin(0) layout.setSpacing(2) hlabel = qt.QLabel(self) hlabel.setText('H:') self.h = qt.QLineEdit(self) self.h.setReadOnly(True) klabel = qt.QLabel(self) klabel.setText('K:') self.k = qt.QLineEdit(self) self.k.setReadOnly(True) llabel = qt.QLabel(self) llabel.setText('L:') self.l = qt.QLineEdit(self) self.l.setReadOnly(True) self.setHKL(h, k, l) layout.addWidget(hlabel) layout.addWidget(self.h) layout.addWidget(klabel) layout.addWidget(self.k) layout.addWidget(llabel) layout.addWidget(self.l) def setHKL(self, h="", k="", l=""): format = "%.4f" if type(h) == type (""): self.h.setText(h) else: self.h.setText(format % h) if type(k) == type (""): self.k.setText(k) else: self.k.setText(format % k) if type(l) == type (""): self.l.setText(l) else: self.l.setText(format % l) class GraphInfoWidget(qt.QWidget): def __init__(self, parent): qt.QWidget.__init__(self, parent) layout = qt.QGridLayout(self) layout.setMargin(0) layout.setSpacing(2) #peak peak = qt.QLabel(self) peak.setText("Peak: ") self.peak = qt.QLineEdit(self) self.peak.setReadOnly(True) hboxPeak = qt.QWidget(self) hboxPeak.l = qt.QHBoxLayout(hboxPeak) hboxPeak.l.setMargin(0) hboxPeak.l.setSpacing(0) peakAt = qt.QLabel(hboxPeak) peakAt.setText(" at:") self.peakAt = qt.QLineEdit(hboxPeak) self.peak.setReadOnly(True) hboxPeak.l.addWidget(peakAt) hboxPeak.l.addWidget(self.peakAt) #fwhm fwhm = qt.QLabel(self) fwhm.setText("Fwhm: ") self.fwhm = qt.QLineEdit(self) self.fwhm.setReadOnly(True) hboxFwhm = qt.QWidget(self) hboxFwhm.l = qt.QHBoxLayout(hboxFwhm) hboxFwhm.l.setMargin(0) hboxFwhm.l.setSpacing(0) fwhmAt = qt.QLabel(hboxFwhm) fwhmAt.setText(" at:") self.fwhmAt = qt.QLineEdit(hboxFwhm) self.fwhm.setReadOnly(True) hboxFwhm.l.addWidget(fwhmAt) hboxFwhm.l.addWidget(self.fwhmAt) #statistics #COM com = qt.QLabel(self) com.setText("COM:") self.com = qt.QLineEdit(self) self.com.setReadOnly(True) #mean mean = qt.QLabel(self) mean.setText("Mean:") self.mean = qt.QLineEdit(self) self.mean.setReadOnly(True) #STD std = qt.QLabel(self) std.setText("STD:") self.std = qt.QLineEdit(self) self.std.setReadOnly(True) #Max maximum = qt.QLabel(self) maximum.setText("Max:") self.maximum= qt.QLineEdit(self) self.maximum.setReadOnly(True) #mean minimum = qt.QLabel(self) minimum.setText("Min:") self.minimum= qt.QLineEdit(self) self.minimum.setReadOnly(True) #STD delta = qt.QLabel(self) delta.setText("Delta:") self.delta = qt.QLineEdit(self) self.delta.setReadOnly(True) layout.addWidget(peak, 0, 0) layout.addWidget(self.peak, 0, 1) layout.addWidget(hboxPeak, 0, 2) layout.addWidget(com, 0, 3) layout.addWidget(self.com, 0, 4) layout.addWidget(mean, 0, 5) layout.addWidget(self.mean, 0, 6) layout.addWidget(std, 0, 7) layout.addWidget(self.std, 0, 8) layout.addWidget(fwhm, 1, 0) layout.addWidget(self.fwhm, 1, 1) layout.addWidget(hboxFwhm, 1, 2) layout.addWidget(maximum, 1, 3) layout.addWidget(self.maximum, 1, 4) layout.addWidget(minimum, 1, 5) layout.addWidget(self.minimum, 1, 6) layout.addWidget(delta, 1, 7) layout.addWidget(self.delta, 1, 8) self.specArithmetic = SpecArithmetic() def updateFromDataObject(self, dataObject): ydata = numpy.ravel(dataObject.y[0]) ylen = len(ydata) if ylen: if dataObject.x is None: xdata = numpy.arange(ylen).astype(numpy.float) elif not len(dataObject.x): xdata = numpy.arange(ylen).astype(numpy.float) else: xdata = numpy.ravel(dataObject.x[0]) else: xdata = None self.updateFromXY(xdata, ydata) def updateFromXY(self, xdata, ydata): if len(ydata): peakpos,peak,myidx = self.specArithmetic.search_peak(xdata,ydata) com = self.specArithmetic.search_com(xdata,ydata) fwhm,cfwhm = self.specArithmetic.search_fwhm(xdata,ydata, peak=peak,index=myidx) ymax = max(ydata) ymin = min(ydata) ymean = sum(ydata) / len(ydata) if len(ydata) > 1: ystd = numpy.sqrt(sum((ydata-ymean)*(ydata-ymean))/len(ydata)) else: ystd = 0 delta = ymax - ymin fformat = "%.7g" peakpos = fformat % peakpos peak = fformat % peak myidx = "%d" % myidx com = fformat % com fwhm = fformat % fwhm cfwhm = fformat % cfwhm ymean = fformat % ymean ystd = fformat % ystd ymax = fformat % ymax ymin = fformat % ymin delta = fformat % delta else: peakpos = "----" peak = "----" myidx = "----" com = "----" fwhm = "----" cfwhm = "----" ymean = "----" ystd = "----" ymax = "----" ymin = "----" delta = "----" self.peak.setText(peak) self.peakAt.setText(peakpos) self.fwhm.setText(fwhm) self.fwhmAt.setText(cfwhm) self.com.setText(com) self.mean.setText(ymean) self.std.setText(ystd) self.minimum.setText(ymin) self.maximum.setText(ymax) self.delta.setText(delta) def getInfo(self): ddict={} ddict['peak'] = self.peak.text() ddict['peakat'] = self.peakAt.text() ddict['fwhm'] = self.fwhm.text() ddict['fwhmat'] = self.fwhmAt.text() ddict['com'] = self.com.text() ddict['mean'] = self.mean.text() ddict['std'] = self.std.text() ddict['min'] = self.minimum.text() ddict['max'] = self.maximum.text() ddict['delta'] = self.delta.text() return ddict class ScanInfoWidget(qt.QWidget): def __init__(self, parent = None): qt.QWidget.__init__(self, parent) layout = qt.QGridLayout(self) layout.setMargin(0) layout.setSpacing(2) #scan info sourceLabel = qt.QLabel(self) sourceLabel.setText('Source:') self.sourceLabel = qt.QLineEdit(self) self.sourceLabel.setReadOnly(True) scanLabel = qt.QLabel(self) scanLabel.setText('Scan:') self.scanLabel = qt.QLineEdit(self) self.scanLabel.setReadOnly(True) self.hkl = HKL(self) layout.addWidget(sourceLabel, 0, 0) if QTVERSION < '4.0.0': layout.addMultiCellWidget(self.sourceLabel, 0, 0, 1, 5) else: layout.addWidget(self.sourceLabel, 0, 1, 1, 5) layout.addWidget(scanLabel, 1, 0) layout.addWidget(self.scanLabel, 1, 1) layout.addWidget(self.hkl, 1, 2) def updateFromDataObject(self, dataObject): info = dataObject.info source = info.get('SourceName', None) if source is None: self.sourceLabel.setText("") else: if type(source) == type(""): self.sourceLabel.setText(source) else: self.sourceLabel.setText(source[0]) scan = info.get('Header', None) if scan is None: scan = "" if "envdict" in info: scan = info["envdict"].get('title', "") self.scanLabel.setText(scan) else: self.scanLabel.setText(scan[0]) hkl = info.get('hkl', None) if hkl is None: self.hkl.setHKL("----", "----", "----") else: self.hkl.setHKL(*hkl) def getInfo(self): ddict = {} ddict['source'] = self.sourceLabel.text() ddict['scan'] = self.scanLabel.text() ddict['hkl'] = ["%s" % self.hkl.h.text(), "%s" % self.hkl.k.text(), "%s" % self.hkl.l.text()] return ddict class ScanWindowInfoWidget(qt.QWidget): def __init__(self, parent = None): qt.QWidget.__init__(self, parent) layout = qt.QVBoxLayout(self) layout.setMargin(2) layout.setSpacing(2) self.scanInfo = ScanInfoWidget(self) self.graphInfo = GraphInfoWidget(self) layout.addWidget(self.scanInfo) layout.addWidget(self.graphInfo) #print "hiding graph info" #self.graphInfo.hide() def updateFromDataObject(self, dataObject): self.scanInfo.updateFromDataObject(dataObject) self.graphInfo.updateFromDataObject(dataObject) def getInfo(self): ddict = {} ddict['scan'] = self.scanInfo.getInfo() ddict['graph'] = self.graphInfo.getInfo() return ddict def test(): app = qt.QApplication([]) w = ScanWindowInfoWidget() qt.QObject.connect(app, qt.SIGNAL("lastWindowClosed()"), app,qt.SLOT("quit()")) """ winfo.grid(sticky='wesn') if STATISTICS: winfo.configure(h=65,k=45621,l=32132,peak=6666876, fwhm=0.2154,com=544, ymax=10.,ymin=4,ystd=1,ymean=5) else: winfo.configure(h=65,k=45621,l=32132,peak=6666876, fwhm=0.2154,com=544) """ w.show() if QTVERSION < '4.0.0': app.exec_loop() else: app.exec_() if __name__ == '__main__': test()