def doXdsIndexingIntegration(self, _xsDataCollection): # Load the plugin self._edPluginIndexing = self.loadPlugin(self._strIndexingPluginName, "Indexing") # XDS Indexing xsDataIndexingInput = XSDataIndexingInput() xsDataIndexingInput.setDataCollection(_xsDataCollection) self._edPluginIndexing.dataInput = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing(xsDataIndexingInput) self._edPluginIndexing.executeSynchronous() xsDataResultXDSIndexing = self._edPluginIndexing.dataOutput if xsDataResultXDSIndexing.spaceGroupNumber is not None: spaceGroupNumber = xsDataResultXDSIndexing.spaceGroupNumber.value unitCell = xsDataResultXDSIndexing.unitCell filePaths = xsDataResultXDSIndexing.filePaths index = 1 for subWedge in _xsDataCollection.subWedge: xsDataCollection = XSDataCollection() xsDataCollection.addSubWedge(subWedge) xsDataIndexingInput = XSDataIndexingInput() xsDataIndexingInput.setDataCollection(xsDataCollection) xsDataInputXDSIntegration = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIntegration(xsDataIndexingInput, spaceGroupNumber, unitCell, filePaths) edPluginIntegration = self.loadPlugin(self._strIntegrationPluginName, "Integration_{0}".format(index)) edPluginIntegration.dataInput = xsDataInputXDSIntegration edPluginIntegration.executeSynchronous() # self._edPluginIntegration.dataInput = xsDataInputXDSIntegration index += 1
def doXdsIndexingIntegration(self, _xsDataCollection): # Load the plugin self._edPluginIndexing = self.loadPlugin(self._strIndexingPluginName, "Indexing") # XDS Indexing xsDataIndexingInput = XSDataIndexingInput() xsDataIndexingInput.setDataCollection(_xsDataCollection) self._edPluginIndexing.dataInput = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing( xsDataIndexingInput) self._edPluginIndexing.executeSynchronous() xsDataResultXDSIndexing = self._edPluginIndexing.dataOutput if xsDataResultXDSIndexing.spaceGroupNumber is not None: spaceGroupNumber = xsDataResultXDSIndexing.spaceGroupNumber.value unitCell = xsDataResultXDSIndexing.unitCell filePaths = xsDataResultXDSIndexing.filePaths index = 1 for subWedge in _xsDataCollection.subWedge: xsDataCollection = XSDataCollection() xsDataCollection.addSubWedge(subWedge) xsDataIndexingInput = XSDataIndexingInput() xsDataIndexingInput.setDataCollection(xsDataCollection) xsDataInputXDSIntegration = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIntegration( xsDataIndexingInput, spaceGroupNumber, unitCell, filePaths) edPluginIntegration = self.loadPlugin( self._strIntegrationPluginName, "Integration_{0}".format(index)) edPluginIntegration.dataInput = xsDataInputXDSIntegration edPluginIntegration.executeSynchronous() # self._edPluginIntegration.dataInput = xsDataInputXDSIntegration index += 1
def loadPluginIndexingInputData(self): self.verboseDebug( "EDPluginControlIndexingXDSv10.loadPluginIndexingInputData...") xsDataIndexingInput = self.getDataInput() from EDHandlerXSDataXDSv1_0 import EDHandlerXSDataXDSv1_0 self.getPluginIndexing( ).dataInput = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing( xsDataIndexingInput)
def testGenerateXSDataInputXDSIndexing(self): filename = "XSDataIndexingInput_reference.xml" path = os.path.join(self.dataPath, filename) xmlIndexingInput = EDUtilsTest.readAndParseFile(path) from XSDataMXv1 import XSDataIndexingInput xsDataIndexingInput = XSDataIndexingInput.parseString(xmlIndexingInput) from EDHandlerXSDataXDSv1_0 import EDHandlerXSDataXDSv1_0 xsDataInputXDSIndexing = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing(xsDataIndexingInput) referenceFilename = "XSDataInputXDSIndexing_reference.xml" referencePath = os.path.join(self.dataPath, referenceFilename) xmlInputXDSIndexingReference = EDUtilsTest.readAndParseFile(referencePath) EDAssert.equal(xmlInputXDSIndexingReference, xsDataInputXDSIndexing.marshal())
def testGenerateXSDataInputXDSIndexing(self): filename = "XSDataIndexingInput_reference.xml" path = os.path.join(self.dataPath, filename) xmlIndexingInput = EDUtilsTest.readAndParseFile(path) from XSDataMXv1 import XSDataIndexingInput xsDataIndexingInput = XSDataIndexingInput.parseString(xmlIndexingInput) from EDHandlerXSDataXDSv1_0 import EDHandlerXSDataXDSv1_0 xsDataInputXDSIndexing = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing( xsDataIndexingInput) referenceFilename = "XSDataInputXDSIndexing_reference.xml" referencePath = os.path.join(self.dataPath, referenceFilename) xmlInputXDSIndexingReference = EDUtilsTest.readAndParseFile( referencePath) EDAssert.equal(xmlInputXDSIndexingReference, xsDataInputXDSIndexing.marshal())
def testGenerateXSDataInputXDSIndexing(self): pyStrFilename = "XSDataIndexingInput_reference.xml" pyStrPath = os.path.join(self.m_pyStrDataPath, pyStrFilename) pyStrXMLIndexingInput = self.readAndParseFile(pyStrPath) from XSDataMXv1 import XSDataIndexingInput xsDataIndexingInput = XSDataIndexingInput.parseString(pyStrXMLIndexingInput) from EDHandlerXSDataXDSv1_0 import EDHandlerXSDataXDSv1_0 xsDataInputXDSIndexing = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing(xsDataIndexingInput) xsDataInputXDSIndexing.outputFile("XSDataInputXDSIndexing_reference.xml") pyStrReferenceFilename = "XSDataInputXDSIndexing_reference.xml" pyStrReferencePath = os.path.join(self.m_pyStrDataPath, pyStrReferenceFilename) xsDataInputXDSIndexing.outputFile("XSDataInputXDSIndexing.xml") pyStrXMLInputXDSIndexingReference = self.readAndParseFile(pyStrReferencePath) EDAssert.equal(pyStrXMLInputXDSIndexingReference, xsDataInputXDSIndexing.marshal())
def testGenerateXSDataInputXDSIndexing(self): pyStrFilename = "XSDataIndexingInput_reference.xml" pyStrPath = os.path.join(self.m_pyStrDataPath, pyStrFilename) pyStrXMLIndexingInput = self.readAndParseFile(pyStrPath) from XSDataMXv1 import XSDataIndexingInput xsDataIndexingInput = XSDataIndexingInput.parseString( pyStrXMLIndexingInput) from EDHandlerXSDataXDSv1_0 import EDHandlerXSDataXDSv1_0 xsDataInputXDSIndexing = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing( xsDataIndexingInput) xsDataInputXDSIndexing.exportToFile( "XSDataInputXDSIndexing_reference.xml") pyStrReferenceFilename = "XSDataInputXDSIndexing_reference.xml" pyStrReferencePath = os.path.join(self.m_pyStrDataPath, pyStrReferenceFilename) xsDataInputXDSIndexing.exportToFile("XSDataInputXDSIndexing.xml") pyStrXMLInputXDSIndexingReference = self.readAndParseFile( pyStrReferencePath) EDAssert.equal(pyStrXMLInputXDSIndexingReference, xsDataInputXDSIndexing.marshal())
def loadPluginIndexingInputData(self): self.verboseDebug("EDPluginControlIndexingXDSv10.loadPluginIndexingInputData...") xsDataIndexingInput = self.getDataInput() from EDHandlerXSDataXDSv1_0 import EDHandlerXSDataXDSv1_0 self.getPluginIndexing().dataInput = EDHandlerXSDataXDSv1_0.generateXSDataInputXDSIndexing(xsDataIndexingInput)