예제 #1
0
    def postProcess(self, _edObject=None):
        EDPluginExecProcessScript.postProcess(self)
        EDVerbose.DEBUG("EDPluginExecDamfiltv0_1.postProcess")

        xsDataResult = XSDataResultDamfilt()

        pathOutputFile = XSDataString(os.path.join(self.getWorkingDirectory(), self.__strOutputPdbFileName))
        xsDataResult.setOutputPdbFile(XSDataFile(pathOutputFile))

        self.setDataOutput(xsDataResult)
예제 #2
0
    def postProcess(self, _edObject=None):
        EDPluginExecProcessScript.postProcess(self)
        EDVerbose.DEBUG("EDPluginExecDamfiltv0_1.postProcess")

        xsDataResult = XSDataResultDamfilt()

        pathOutputFile = XSDataString(
            os.path.join(self.getWorkingDirectory(),
                         self.__strOutputPdbFileName))
        xsDataResult.setOutputPdbFile(XSDataFile(pathOutputFile))

        self.setDataOutput(xsDataResult)
예제 #3
0
    def postProcess(self, _edObject=None):
        EDPluginExecProcessScript.postProcess(self)
        self.DEBUG("EDPluginExecDamfiltv0_3.postProcess")

        xsDataResult = XSDataResultDamfilt()

        pathOutputFile = os.path.join(self.getWorkingDirectory(), self.__strOutputPdbFileName)
        if os.path.exists(pathOutputFile):
            xsDataResult.model = XSDataSaxsModel(name=XSDataString("damfilt"))
            xsDataResult.outputPdbFile = xsDataResult.model.pdbFile = XSDataFile(XSDataString(pathOutputFile))
            res = parse_atsas.parsePDB(pathOutputFile, pathOutputFile)
            if "volume" in res:
                xsDataResult.model.volume = XSDataDouble(res["volume"])
            if "Dmax" in res:
                xsDataResult.model.dmax = XSDataDouble(res["Dmax"])
        xsDataResult.status = XSDataStatus(message=self.getXSDataMessage(),
                                          executiveSummary=XSDataString(os.linesep.join(self.getListExecutiveSummaryLines())))
        self.setDataOutput(xsDataResult)