def testRasterConfiguration(self):
strPathToTestConfigFile = os.path.join(self.strUnitTestDataHome,
"XSConfiguration_raster.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
dictItem = edConfiguration.get(self.getPluginName())
xsDataMOSFLMInput = XSDataMOSFLMInput()
xsDataMOSFLMBeam = XSDataMOSFLMBeamPosition()
xsDataMOSFLMBeam.setX(XSDataLength(1.0))
xsDataMOSFLMBeam.setY(XSDataLength(2.0))
xsDataMOSFLMInput.setBeam(xsDataMOSFLMBeam)
xsDataMOSFLMDetector = XSDataMOSFLMDetector()
xsDataMOSFLMDetector.setType(XSDataString("ADSC"))
xsDataMOSFLMInput.setDetector(xsDataMOSFLMDetector)
xsDataMOSFLMInput.setDirectory(XSDataString("/tmp"))
xsDataMOSFLMInput.setTemplate(XSDataString("testdata_1_###.img"))
xsDataMOSFLMInput.setWavelength(XSDataWavelength(1.1111))
xsDataMOSFLMInput.setDistance(XSDataLength(222.22))
edPluginMOSFLMv10 = self.createPlugin()
edPluginMOSFLMv10.setScriptExecutable("cat")
edPluginMOSFLMv10.setConfig(dictItem, _bLocal=True)
edPluginMOSFLMv10.configure()
edPluginMOSFLMv10.setXSDataInputClass(XSDataMOSFLMInput)
edPluginMOSFLMv10.setDataInput(xsDataMOSFLMInput)
edPluginMOSFLMv10.generateMOSFLMCommands()
edListCommands = edPluginMOSFLMv10.getListCommandExecution()
edListCommandsReference = [
'WAVELENGTH 1.1111', 'DISTANCE 222.22', 'BEAM 1.0 2.0',
'DETECTOR ADSC', 'DIRECTORY /tmp', 'TEMPLATE testdata_1_###.img',
'RASTER 15 15 3 3 3'
]
EDAssert.equal(edListCommandsReference, edListCommands,
"MOSFLM commands with ratser configured")
def testExecute(self):
"""
Runs the plugin and then compares expected output with obtained output to verify that it executed correctly.
"""
#self.run()
for i in range(1):
# We set up the plugin manually as it has to be executed many times
edPlugin = self.createPlugin()
edConfiguration = EDConfiguration(self.getConfigurationFile())
edConfiguration.load()
edPlugin.setConfiguration(
edConfiguration.getPluginItem(
"EDPluginISPyBStoreImageQualityIndicatorsv1_4"))
edPlugin.setDataInput(
EDUtilsFile.readFileAndParseVariables(self.getDataInputFile()))
edPlugin.executeSynchronous()
# Check that the id extists in the results
xsDataResult = edPlugin.getDataOutput()
bAttributeExists = True
if xsDataResult.getImageQualityIndicatorsId() is None:
bAttributeExists = False
EDAssert.equal(
True, bAttributeExists,
"Attribute imageQualityIndicatorsId = %d in the result" %
xsDataResult.imageQualityIndicatorsId.value)
def testConfigureOK(self):
edPluginControlIndexingv10 = self.createPlugin()
strPathToTestConfigFile = os.path.join(self.getPluginTestsDataHome(), "XSConfiguration.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
dictItem = edConfiguration.get(edPluginControlIndexingv10.getPluginName())
edPluginControlIndexingv10.setConfig(dictItem)
edPluginControlIndexingv10.configure()
def testGenerateMOSFLMIntegrationCommands(self):
strPathToTestConfigFile = os.path.join(self.strUnitTestDataHome,
"XSConfiguration_unitTest.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
xsPluginItem = edConfiguration.getXSConfigurationItem(
"EDPluginMOSFLMIntegrationv10")
pluginIntegration = self.createPlugin()
pluginIntegration.setScriptExecutable("cat")
pluginIntegration.setConfiguration(xsPluginItem)
pluginIntegration.configure()
strXMLInputData = self.readAndParseFile(self.strReferenceDataInputFile)
pluginIntegration.setDataInput(strXMLInputData)
pluginIntegration.generateMOSFLMCommands()
listCommandExecution = pluginIntegration.getListCommandExecution()
listCommandReference = [
'WAVELENGTH 0.934', 'DISTANCE 198.440994',
'BEAM 102.478996 104.8862', 'DETECTOR ADSC',
'DIRECTORY ' + self.strDataImagePath,
'TEMPLATE ref-testscale_1_###.img', 'SYMMETRY P222',
'MATRIX ' + pluginIntegration.getScriptBaseName() + '_matrix.mat',
'MOSAIC 0.75', 'HKLOUT process_1_1.mtz',
'PROCESS 1 TO 1 START 0.000000 ANGLE 1.000000', 'BEST ON', 'GO',
'BEST OFF'
]
EDAssert.equal(listCommandReference, listCommandExecution)
def testAddConfigFile(self):
# Tests adding a config file
strPath = os.path.join(self.strDataPath, "XSConfiguration.xml")
edConfiguration = EDConfiguration()
edConfiguration.addConfigurationFile(strPath)
# Load the config file again, this time the cache should be used
edConfiguration.addConfigurationFile(strPath)
def testGetXSConfigurationItem1(self):
strPath = os.path.join(self.strDataPath, "XSConfiguration.xml")
edConfiguration = EDConfiguration()
edConfiguration.addConfigurationFile(strPath)
xsDataPluginItem = edConfiguration.getXSConfigurationItem(
"indexingMosflm")
EDAssert.equal(True, xsDataPluginItem is not None,
"Obtanied configuration for indexingMosflm")
def testConfigureOK(self):
edPluginStrategy = self.createPlugin()
strPathToTestConfigFile = os.path.join(self.getPluginTestsDataHome(),
"XSConfiguration_ESRF.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
dictItem = edConfiguration.get(edPluginStrategy.getPluginName())
edPluginStrategy.setConfig(dictItem)
edPluginStrategy.configure()
def testGetPluginListSize(self):
"""
Testing the retrieved XSPluginList size from configuration
"""
strPath = os.path.join(self.strDataPath, "XSConfiguration.xml")
edConfiguration = EDConfiguration()
edConfiguration.addConfigurationFile(strPath)
iPluginListSize = edConfiguration.getPluginListSize()
EDAssert.equal(1, iPluginListSize)
def testSetXSConfigurationItem(self):
xsPluginItem = XSPluginItem()
xsPluginItem.name = "EDPluginTestSetConfig"
edConfiguration = EDConfiguration()
edConfiguration.setXSConfigurationItem(xsPluginItem)
xsDataPluginItem = edConfiguration.getXSConfigurationItem(
"EDPluginTestSetConfig")
EDAssert.equal(True, xsDataPluginItem is not None,
"Obtanied set configuration")
def setConfiguration(self, _xsPluginItem):
"""
Receives a Plugin Configuration as XSPluginItem or python dict from the application.
"""
self.DEBUG("EDPlugin.setConfiguration")
self.__edConfiguration = EDConfiguration()
if isinstance(_xsPluginItem, dict):
self.__edConfiguration[self.getPluginName()] = _xsPluginItem
else:
self.__edConfiguration.setXSConfigurationItem(_xsPluginItem)
def testGetPluginItemError(self):
"""
Testing the retrieval of an absent plugin
"""
strPath = os.path.join(self.strDataPath, "XSConfiguration.xml")
edConfiguration = EDConfiguration()
edConfiguration.addConfigurationFile(strPath)
xsPluginItem = edConfiguration.getXSConfigurationItem("toto")
EDAssert.equal(None, xsPluginItem,
"Non-existing configuration item should be None")
def testGetParamItem(self):
"""
Testing the XSParamItem inside an XSPluginItem
"""
strPath = os.path.join(self.strDataPath, "XSConfiguration.xml")
edConfiguration = EDConfiguration()
edConfiguration.addConfigurationFile(strPath)
strValue = edConfiguration.getStringValue("indexingMosflm",
"workingDir")
EDAssert.equal("/path/to/working/dir", strValue)
def setConfig(self, _dict, _bLocal=False):
"""
Receives a dictionary (Plugin Configuration) from the application.
"""
self.DEBUG("EDPlugin.setConfiguration")
if _bLocal:
self.__edConfiguration = EDConfiguration()
if _dict is not None:
self.__edConfiguration[self.getPluginName()] = _dict
else:
self.__edConfiguration[self.getPluginName()] = {}
def testSendEmail(self):
pluginMXCuBE = self.createPlugin()
strPathToTestConfig = os.path.join(self.getPluginTestsDataHome(),
"XSConfiguration.xml")
edConfiguration = EDConfiguration(strPathToTestConfig)
edConfiguration.load()
EDApplication.setConfiguration(edConfiguration)
pluginMXCuBE.configure()
pluginMXCuBE.sendEmail(
"EDTestCasePluginUnitControlInterfaceToMXCuBEv1_2sendEmail: Test subject",
"EDTestCasePluginUnitControlInterfaceToMXCuBEv1_2sendEmail: Test message"
)
def testUpdateChemicalCompositionWithNativeSulfurAtom(self):
edPluginStrategy = self.createPlugin()
strPathToTestConfigFile = os.path.join(self.getPluginTestsDataHome(),
"XSConfiguration_ESRF.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
dictItem = edConfiguration.get(edPluginStrategy.getPluginName())
edPluginStrategy.setConfig(dictItem)
edPluginStrategy.configure()
xsDataStructure = XSDataStructure()
xsDataComposition = XSDataChemicalCompositionMM()
xsDataChain = XSDataChain()
xsDataChain.setType(XSDataString("protein"))
xsDataChain.setNumberOfCopies(XSDataDouble(2))
xsDataChain.setNumberOfMonomers(XSDataDouble(60))
xsDataStructure.addChain(xsDataChain)
xsDataComposition.setStructure(xsDataStructure)
updatedChemicalComposition = edPluginStrategy.updateChemicalComposition(
xsDataComposition)
EDAssert.equal(
3,
updatedChemicalComposition.getStructure().getChain()
[0].getHeavyAtoms().getAtom()[0].getNumberOf().getValue())
EDAssert.equal(
"S",
updatedChemicalComposition.getStructure().getChain()
[0].getHeavyAtoms().getAtom()[0].getSymbol().getValue())
xsDataStructure = XSDataStructure()
xsDataComposition = XSDataChemicalCompositionMM()
xsDataChain = XSDataChain()
xsDataChain.setType(XSDataString("protein"))
xsDataChain.setNumberOfCopies(XSDataDouble(2))
xsDataChain.setNumberOfMonomers(XSDataDouble(60))
xsDataAtom1 = XSDataAtom()
xsDataAtom1.setSymbol(XSDataString("Se"))
xsDataAtom1.setNumberOf(XSDataDouble(4))
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtomicComposition.addAtom(xsDataAtom1)
xsDataChain.setHeavyAtoms(xsDataAtomicComposition)
xsDataStructure.addChain(xsDataChain)
xsDataComposition.setStructure(xsDataStructure)
updatedChemicalComposition = edPluginStrategy.updateChemicalComposition(
xsDataComposition)
heavyAtoms = updatedChemicalComposition.getStructure().getChain(
)[0].getHeavyAtoms().getAtom()
for heavyAtom in heavyAtoms:
self.unitTest(heavyAtom.getSymbol().getValue() + " : " +
str(heavyAtom.getNumberOf().getValue()))
if (heavyAtom.getSymbol().getValue() == "S"):
EDAssert.equal(3, heavyAtom.getNumberOf().getValue())
def testStaticEDConfiguration(self):
# This test make sure that changing an instatiation of EDConfiguration does not change the
# corresponding plugin configuration for EDConfigurationStatic
strPathToTestConfigFile = os.path.join(
self.strDataPath, "XSConfiguration_testNonStatic.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
strParam1 = edConfiguration.getStringValue("EDPluginTestPluginFactory",
"testItemName")
EDUtilsPath.setEdnaSite("TestStaticConfiguration")
strParam2 = EDConfigurationStatic.getStringValue(
"EDPluginTestPluginFactory", "testItemName")
EDAssert.equal(False, strParam1 == strParam2,
"Static config is not equal to local config")
def testGetPathToProjectConfigurationFile(self):
edConfiguration = EDConfiguration()
strPathToConfigurationFile1 = edConfiguration.getPathToProjectConfigurationFile(
"EDPluginTestPluginFactory")
strPathToConfigurationFileReference1 = EDUtilsPath.appendListOfPaths(EDUtilsPath.getEdnaHome(),
[ "kernel", "tests", "data", "EDFactoryPlugin", \
"testProject", "conf", "XSConfiguration_TestSite.xml" ])
EDAssert.equal(strPathToConfigurationFileReference1,
strPathToConfigurationFile1)
EDUtilsPath.setEdnaSite("NonexistingTestSite")
strPathToConfigurationFile2 = edConfiguration.getPathToProjectConfigurationFile(
"EDPluginTestPluginFactory")
strPathToConfigurationFileReference2 = None
EDAssert.equal(strPathToConfigurationFileReference2,
strPathToConfigurationFile2)
def testSetDataInput(self):
edPluginControlIndexingv10 = self.createPlugin()
strPathToTestConfigFile = os.path.join(self.getPluginTestsDataHome(), "XSConfiguration.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
dictItem = edConfiguration.get(edPluginControlIndexingv10.getPluginName())
edPluginControlIndexingv10.setConfig(dictItem)
edPluginControlIndexingv10.configure()
xmlInput = self.readAndParseFile(self.__strReferenceInputFile)
edPluginControlIndexingv10.setDataInput(xmlInput)
xsDataIndexingv01Input = edPluginControlIndexingv10.getDataInput()
xsDataIndexingInputReference = XSDataIndexingInput.parseString(xmlInput)
EDAssert.equal(xsDataIndexingInputReference.marshal(), xsDataIndexingv01Input.marshal())
self.cleanUp(edPluginControlIndexingv10)
def testConfigureOK(self):
edPluginRaddose = self.createPlugin()
edConfigurationGood01 = EDConfiguration(
os.path.join(self.strDataPath, "XSConfiguration.xml"))
dictItemGood01 = edConfigurationGood01.get(self.getPluginName())
edPluginRaddose.setConfig(dictItemGood01, _bLocal=True)
edPluginRaddose.setScriptExecutable("cat")
edPluginRaddose.configure()
EDAssert.equal("/bin/bash", edPluginRaddose.getScriptShell())
EDAssert.equal("cat", edPluginRaddose.getScriptExecutable())
EDAssert.equal("/opt/pxsoft/ccp4-6.0.2/include/ccp4.setup-bash.orig",
edPluginRaddose.getSetupCCP4())
EDAssert.equal("Verion of Raddose to be tested",
edPluginRaddose.getStringVersion())
#EDAssert.equal(600, edPluginMessage.getTimeOut())
self.cleanUp(edPluginRaddose)
def testGetPluginItem(self):
"""
Testing Plugin indexingMosflm Configuration
"""
strPath = os.path.join(self.strDataPath, "XSConfiguration.xml")
edConfiguration = EDConfiguration()
edConfiguration.addConfigurationFile(strPath)
xsPluginItem = edConfiguration.getXSConfigurationItem("indexingMosflm")
EDAssert.equal("indexingMosflm", xsPluginItem.getName())
paramList = xsPluginItem.getXSParamList()
paramItems = paramList.getXSParamItem()
EDAssert.equal("workingDir", paramItems[0].getName())
EDAssert.equal("/path/to/working/dir", paramItems[0].getValue())
EDAssert.equal("number", paramItems[1].getName())
EDAssert.equal("3", paramItems[1].getValue())
def testGetParamValue(self):
"""
Testing the XSParamItem Value convertion from string to different formats
"""
strPath = os.path.join(self.strDataPath, "XSConfiguration.xml")
edConfiguration = EDConfiguration()
edConfiguration.addConfigurationFile(strPath)
xsPluginItem = edConfiguration.getXSConfigurationItem("indexingMosflm")
EDAssert.equal(
"/path/to/working/dir",
edConfiguration.getStringParamValue(xsPluginItem, "workingDir"))
EDAssert.equal(
"/path/to/working/dir",
EDConfiguration.getStringParamValue(xsPluginItem, "workingDir"))
EDAssert.equal(
3, edConfiguration.getIntegerParamValue(xsPluginItem, "number"))
EDAssert.equal(
3, EDConfiguration.getIntegerParamValue(xsPluginItem, "number"))
def getPluginConfiguration(self, _strConfigurationFileName):
"""
Returns the plugin configuration from a configuration file
"""
xsPluginItem = None
edConfiguration = EDConfiguration(_strConfigurationFileName)
if (edConfiguration != None):
xsPluginItem = edConfiguration.getXSConfigurationItem(
self.getPluginName())
if (xsPluginItem == None):
EDVerbose.warning(
"EDTestCasePluginUnit.getPluginConfiguration: Could not get configuration plugin item for: "
+ self.getPluginName())
else:
EDVerbose.warning(
"EDTestCasePluginUnit.getPluginConfiguration: Could not load Configuration: "
+ _strConfigurationFileName)
return xsPluginItem
def testGetXSConfigurationItem2(self):
edConfiguration = EDConfiguration()
xsDataPluginItem1 = edConfiguration.getXSConfigurationItem(
"EDPluginTestPluginFactory")
EDAssert.equal(True, xsDataPluginItem1 is not None,
"Obtanied configuration for EDPluginTestPluginFactory")
xsDataPluginItem2 = edConfiguration.getXSConfigurationItem(
"EDPluginTestPluginFactoryImport1")
EDAssert.equal(
True, xsDataPluginItem2 is not None,
"Obtanied imported configuration for EDPluginTestPluginFactoryImport1"
)
xsDataPluginItem3 = edConfiguration.getXSConfigurationItem(
"EDPluginTestPluginFactoryImport2")
EDAssert.equal(
True, xsDataPluginItem3 is not None,
"Obtanied imported configuration for EDPluginTestPluginFactoryImport2"
)
def testConfigureOK(self):
edPluginBest = self.createPlugin()
edConfigurationGood01 = EDConfiguration(
os.path.join(self.strDataPath, "XSConfiguration.xml"))
dictItemGood01 = edConfigurationGood01.get(self.getPluginName())
edPluginBest.setConfig(dictItemGood01, _bLocal=True)
edPluginBest.setScriptExecutable("cat")
edPluginBest.configure()
EDAssert.equal("/bin/bash", edPluginBest.getScriptShell())
EDAssert.equal("cat", edPluginBest.getScriptExecutable())
EDAssert.equal("/opt/pxsoft/ccp4-6.0.2/include/ccp4.setup-bash.orig",
edPluginBest.getSetupCCP4())
EDAssert.equal("Version of Best to be tested",
edPluginBest.getStringVersion())
EDAssert.equal(600, edPluginBest.getTimeOut())
EDAssert.equal("/home/sweet/home", edPluginBest.getBestHome())
EDAssert.equal("export besthome=/home/sweet/home",
edPluginBest.getCommandBestHome())
self.cleanUp(edPluginBest)
def testSetDataModelInput(self):
edPluginStrategy = self.createPlugin()
strPathToTestConfigFile = os.path.join(self.getPluginTestsDataHome(),
"XSConfiguration_ESRF.xml")
edConfiguration = EDConfiguration(strPathToTestConfigFile)
dictItem = edConfiguration.get(edPluginStrategy.getPluginName())
edPluginStrategy.setConfig(dictItem)
edPluginStrategy.configure()
xsDataStrategy = XSDataInputStrategy()
# Beam
xsExperimentalCondition = XSDataExperimentalCondition()
xsBeam = XSDataBeam()
xsBeam.setFlux(XSDataFlux(1e+12))
xsBeam.setWavelength(XSDataWavelength(2.41))
xsBeam.setSize(XSDataSize(x=XSDataLength(0.1), y=XSDataLength(0.1)))
xsBeam.setExposureTime(XSDataTime(1))
xsExperimentalCondition.setBeam(xsBeam)
# Detector and Exposure Time
xsDataDetector = XSDataDetector()
xsDataDetector.setType(XSDataString("q210-2x"))
xsExperimentalCondition.setDetector(xsDataDetector)
xsDataGoniostat = XSDataGoniostat()
xsDataGoniostat.setRotationAxis(XSDataString("phi"))
xsExperimentalCondition.setGoniostat(xsDataGoniostat)
xsDataStrategy.setExperimentalCondition(xsExperimentalCondition)
# Best Files
bestFileContentDat = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile.dat"))
xsDataStrategy.setBestFileContentDat(XSDataString(bestFileContentDat))
bestFileContentPar = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile.par"))
xsDataStrategy.setBestFileContentPar(XSDataString(bestFileContentPar))
bestFileContentHKL = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile1.hkl"))
xsDataStrategy.addBestFileContentHKL(XSDataString(bestFileContentHKL))
# Crystal
xsDataSampleCrystalMM = XSDataSampleCrystalMM()
xsDataStructure = XSDataStructure()
xsDataComposition = XSDataChemicalCompositionMM()
xsDataChain = XSDataChain()
xsDataChain.setType(XSDataString("protein"))
xsDataChain.setNumberOfCopies(XSDataDouble(2))
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtom1 = XSDataAtom()
xsDataAtom1.setSymbol(XSDataString("Se"))
xsDataAtom1.setNumberOf(XSDataDouble(4))
xsDataAtomicComposition.addAtom(xsDataAtom1)
xsDataChain.setHeavyAtoms(xsDataAtomicComposition)
xsDataChain.setNumberOfMonomers(XSDataDouble(100))
xsDataStructure.addChain(xsDataChain)
xsDataChain2 = XSDataChain()
xsDataChain2.setType(XSDataString("rna"))
xsDataChain2.setNumberOfCopies(XSDataDouble(1))
xsDataChain2.setNumberOfMonomers(XSDataDouble(60))
xsDataStructure.addChain(xsDataChain2)
xsDataLigand = XSDataLigand()
xsDataLigand.setNumberOfCopies(XSDataDouble(2))
xsDataLigand.setNumberOfLightAtoms(XSDataDouble(42))
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtom2 = XSDataAtom()
xsDataAtom2.setSymbol(XSDataString("Fe"))
xsDataAtom2.setNumberOf(XSDataDouble(1))
xsDataAtomicComposition.addAtom(xsDataAtom2)
xsDataLigand.setHeavyAtoms(xsDataAtomicComposition)
xsDataStructure.addLigand(xsDataLigand)
xsDataStructure.setNumberOfCopiesInAsymmetricUnit(XSDataDouble(0.25))
xsDataSolvent = XSDataSolvent()
xsDataAtomicComposition = XSDataAtomicComposition()
xsDataAtom3 = XSDataAtom()
xsDataAtom3.setSymbol(XSDataString("Na"))
xsDataAtom3.setConcentration(XSDataDouble(1000))
xsDataAtom4 = XSDataAtom()
xsDataAtom4.setSymbol(XSDataString("Cl"))
xsDataAtom4.setConcentration(XSDataDouble(1000))
xsDataAtomicComposition.addAtom(xsDataAtom3)
xsDataAtomicComposition.addAtom(xsDataAtom4)
xsDataSolvent.setAtoms(xsDataAtomicComposition)
xsDataComposition.setStructure(xsDataStructure)
xsDataComposition.setSolvent(xsDataSolvent)
xsDataSampleCrystalMM.setChemicalComposition(xsDataComposition)
xsDataSampleCrystalMM.setSize(
XSDataSize(XSDataLength(0.1), XSDataLength(0.1),
XSDataLength(0.1)))
xsDataCrystal = XSDataCrystal()
xsDataCell = XSDataCell(angle_alpha=XSDataAngle(90.0),
angle_beta=XSDataAngle(90.0),
angle_gamma=XSDataAngle(90.0),
length_a=XSDataLength(78.9),
length_b=XSDataLength(95.162),
length_c=XSDataLength(104.087))
xsDataCrystal.setCell(xsDataCell)
xsDataSpaceGroup = XSDataSpaceGroup()
xsDataSpaceGroup.setITNumber(XSDataInteger(16))
xsDataCrystal.setSpaceGroup(xsDataSpaceGroup)
xsDataSampleCrystalMM.setSusceptibility(XSDataDouble(1.5))
xsDataStrategy.setCrystalRefined(xsDataCrystal)
xsDataStrategy.setSample(xsDataSampleCrystalMM)
xsDataStrategy.exportToFile(self.strObtainedInputFile)
pyStrExpectedInput = self.readAndParseFile(self.strReferenceInputFile)
pyStrObtainedInput = self.readAndParseFile(self.strObtainedInputFile)
xsDataInputExpected = XSDataInputStrategy.parseString(
pyStrExpectedInput)
xsDataInputObtained = XSDataInputStrategy.parseString(
pyStrObtainedInput)
EDAssert.equal(xsDataInputExpected.marshal(),
xsDataInputObtained.marshal())
def testSetDataModelInput(self):
edPluginBest = self.createPlugin()
edConfigurationGood01 = EDConfiguration(
os.path.join(self.strDataPath, "XSConfiguration.xml"))
dictItemGood01 = edConfigurationGood01.get(self.getPluginName())
edPluginBest.setConfig(dictItemGood01, _bLocal=True)
edPluginBest.setScriptExecutable("cat")
edPluginBest.configure()
from XSDataBestv1_3 import XSDataInputBest
xsDataInputBest = XSDataInputBest()
from XSDataCommon import XSDataAbsorbedDoseRate
from XSDataCommon import XSDataDouble
from XSDataCommon import XSDataString
from XSDataCommon import XSDataTime
from XSDataCommon import XSDataFile
from XSDataCommon import XSDataAngularSpeed
from XSDataCommon import XSDataString
from XSDataCommon import XSDataAngle
from XSDataCommon import XSDataBoolean
xsDataInputBest.setCrystalAbsorbedDoseRate(
XSDataAbsorbedDoseRate(0.22E+06))
xsDataInputBest.setCrystalShape(XSDataDouble(1))
xsDataInputBest.setCrystalSusceptibility(XSDataDouble(1.5))
xsDataInputBest.setDetectorType(XSDataString("q210-2x"))
xsDataInputBest.setBeamExposureTime(XSDataTime(1))
xsDataInputBest.setBeamMaxExposureTime(XSDataTime(10000))
xsDataInputBest.setBeamMinExposureTime(XSDataTime(0.1))
xsDataInputBest.setGoniostatMinRotationWidth(XSDataAngle(0.1))
xsDataInputBest.setGoniostatMaxRotationSpeed(XSDataAngularSpeed(10))
xsDataInputBest.setAimedResolution(XSDataDouble(2))
xsDataInputBest.setAimedRedundancy(XSDataDouble(6.5))
xsDataInputBest.setAimedCompleteness(XSDataDouble(0.9))
xsDataInputBest.setAimedIOverSigma(XSDataDouble(3))
xsDataInputBest.setComplexity(XSDataString("min"))
xsDataInputBest.setAnomalousData(XSDataBoolean(False))
fileDirectory = edPluginBest.getWorkingDirectory()
bestFileContentDat = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile.dat"))
xsDataInputBest.setBestFileContentDat(XSDataString(bestFileContentDat))
bestFileContentPar = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile.par"))
xsDataInputBest.setBestFileContentPar(XSDataString(bestFileContentPar))
bestFileContentHKL = EDUtilsFile.readFile(
os.path.join(self.strDataPath, "bestfile1.hkl"))
xsDataInputBest.addBestFileContentHKL(XSDataString(bestFileContentHKL))
xsDataInputBest.exportToFile(self.obtainedInputFile)
pyStrExpectedInput = self.readAndParseFile(self.referenceInputFile)
pyStrObtainedInput = self.readAndParseFile(self.obtainedInputFile)
xsDataInputExpected = XSDataInputBest.parseString(pyStrExpectedInput)
xsDataInputObtained = XSDataInputBest.parseString(pyStrObtainedInput)
EDAssert.equal(xsDataInputExpected.marshal(),
xsDataInputObtained.marshal())
EDUtilsFile.deleteFile(self.obtainedInputFile)
self.cleanUp(edPluginBest)
