""" fft.scripts.py: CCP4 GUI Project Copyright (C) 2010 University of York This library is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License version 3, modified in accordance with the provisions of the license to address the requirements of UK law. You should have received a copy of the modified GNU Lesser General Public License along with this library. If not, copies may be downloaded from http://www.ccp4.ac.uk/ccp4license.php This program 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 Lesser General Public License for more details. """ from core.CCP4PluginScript import CPluginScript from lxml import etree class fft(CPluginScript): TASKMODULE = 'test' TASKTITLE = 'Export map' TASKNAME = 'fft' TASKCOMMAND = 'cfft' TASKVERSION= 0.0 def makeCommandAndScript(self): inp = self.container.inputData out = self.container.outputData con = self.container.controlParameters self.appendCommandLine([ '-stdin' ]) self.appendCommandScript([ '-mtzin %s'%(str(inp.FPHIIN.fullPath)) ]) self.appendCommandScript([ '-mapout %s'%(str(out.MAPOUT.fullPath)) ]) if inp.INDEX_U.isSet(): if inp.INDEX_V.isSet(): if inp.INDEX_W.isSet(): self.appendCommandScript ([ '-grid %s,%s,%s'%(str(inp.INDEX_U))%(str(inp.INDEX_V))%(str(inp.INDEX_W)) ]) if inp.RESOLUTION.isSet(): self.appendCommandScript ([ '-resolution %s'%(str(inp.RESOLUTION)) ]) if con.B_VALUE.isSet(): self.appendCommandScript ([ '-b-value %s'%(str(con.B_VALUE)) ]) if con.U_VALUE.isSet(): self.appendCommandScript ([ '-u-value %s'%(str(con.U_VALUE)) ]) self.appendCommandScript([ '-colin-fc F,PHI' ]) self.appendCommandScript([ '-stats ' ]) return CPluginScript.SUCCEEDED def processOutputFiles(self): self.container.outputData.MAPOUT.annotation = 'Computed using ' + str(self.container.inputData.FPHIIN.annotation) lines = open(self.makeFileName('LOG')).readlines() xmlRoot = etree.Element('Cfft') readingStuff = False for line in lines : if len( line.strip().split ( ) ) < 2 : readingStuff = False if readingStuff : if line.strip().startswith ( 'Number of' ) : npoints = etree.SubElement(xmlRoot,'NPoints') npoints.text = line.strip().split ( )[5] elif line.strip().startswith ( '1st' ) : firstMomZero = etree.SubElement(xmlRoot, 'FirstMomZero' ) firstMomZero.text = line.strip().split ( )[5] firstMomMean = etree.SubElement(xmlRoot, 'FirstMomMean' ) firstMomMean.text = line.strip().split ( )[9] elif line.strip().startswith ( '2nd' ) : secondMomZero = etree.SubElement(xmlRoot, 'SecondMomZero' ) secondMomZero.text = line.strip().split ( )[5] secondMomMean = etree.SubElement(xmlRoot, 'SecondMomMean' ) secondMomMean.text = line.strip().split ( )[9] elif line.strip().startswith ( '3rd' ) : thirdMomZero = etree.SubElement(xmlRoot, 'ThirdMomZero' ) thirdMomZero.text = line.strip().split ( )[5] thirdMomMean = etree.SubElement(xmlRoot, 'ThirdMomMean' ) thirdMomMean.text = line.strip().split ( )[9] elif line.strip().startswith ( 'Range' ) : minimum = etree.SubElement(xmlRoot, 'Min' ) minimum.text = line.strip().split ( )[2] maximum = etree.SubElement(xmlRoot, 'Max' ) maximum.text = line.strip().split ( )[4] elif line.strip().startswith ( 'Map statistics' ) : readingStuff = True with open ( self.makeFileName('PROGRAMXML'),'w' ) as xmlFile: xmlString = etree.tostring ( xmlRoot, pretty_print=True ) xmlFile.write(xmlString) return CPluginScript.SUCCEEDED #===================================================================================================== #=================================test suite========================================================= #===================================================================================================== import unittest from core.CCP4Utils import getCCP4I2Dir,getTMP # unit testing asynchronous processes potential tricky but QProcess has option to wait for finished class testFft(unittest.TestCase): def setUp(self): # make all background jobs wait for completion PROCESSMANAGER().setWaitForFinished(10000) def tearDown(self): PROCESSMANAGER().setWaitForFinished(-1) def testFft(self): import os inputData = CScriptDataContainer(name='fft_test',containerType='inputData',initialise=fft.INPUTDATA) outputData = CScriptDataContainer(name='fft_test',containerType='outputData',initialise=fft.OUTPUTDATA) try: inputData.importXML(os.path.join(getCCP4I2Dir(),'wrappers','fft','test_data','fft_test_1.def.xml')) except CException as e: self.fail(e.errorType) try: outputData.importXML(os.path.join(getCCP4I2Dir(),'wrappers','fft','test_data','fft_test_1.def.xml')) except CException as e: self.fail(e.errorType) wrapper = fft() pid = wrapper.process() def testSuite(): suite = unittest.TestLoader().loadTestsFromTestCase(testFft) return suite def runAllTests(): suite = testSuite() unittest.TextTestRunner(verbosity=2).run(suite)