""" ZZPipelineNameZZ.py: CCP4 GUI Project 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. """ import os from core.CCP4PluginScript import CPluginScript class ZZPipelineNameZZ(CPluginScript): TASKNAME = 'ZZPipelineNameZZ' # Task name - should be same as class name and match pluginTitle in the .def.xml file TASKVERSION= 0.1 # Version of this plugin MAINTAINER = 'ZZPluginMaintainerZZ' ERROR_CODES = { 201 : {'description' : 'Failed to analyse output files' }, 202 : {'description' : 'Failed applying selection ot PDB file' } } PURGESEARCHLIST = [ [ 'hklin.mtz' , 0 ], ['log_mtzjoin.txt', 0] ] RUNEXTERNALPROCESS = False #Uncomment the following if this pipeline will run plugins asynchronously #ASYNCHRONOUS=True def __init__(self, *args, **kws): super(ZZPipelineNameZZ, self).__init__(*args, **kws) #The startProcess method is where you build in the pipeline logic def startProcess(self, command, **kws): self.ZZFirstPluginNameZZPlugins = [] self.completedPlugins = [] for xyzin in self.container.inputData.XYZIN_LIST: ZZFirstPluginNameZZPlugin = self.makePluginObject("ZZFirstPluginNameZZ") ZZFirstPluginNameZZPlugin.container.inputData.XYZIN = xyzin ZZFirstPluginNameZZPlugin.container.inputData.F_SIGF = self.container.inputData.F_SIGF #Uncomment the following lines if you want to run plugins asynchronously ''' ZZFirstPluginNameZZPlugin.async = True import functools self.connectSignal(ZZFirstPluginNameZZPlugin,'finished', functools.partial(self.pluginFinished,ZZFirstPluginNameZZPlugin)) self.ZZFirstPluginNameZZPlugins.append(ZZFirstPluginNameZZPlugin) ''' ZZFirstPluginNameZZResult = ZZFirstPluginNameZZPlugin.process() return CPluginScript.SUCCEEDED #This method will be called as each plugin completes if the pipeline is run asynchronously def pluginFinished(self, whichPlugin): self.completedPlugins.append(whichPlugin) if len(self.ZZFirstPluginNameZZPlugins) == len(self.completedPlugins): postProcessStaus = super(ZZPipelineNameZZ, self).postProcess(processId=self._runningProcessId) self.reportStatus(postProcessStatus) def processOutputFiles(self): #Create (dummy) PROGRAMXML from lxml import etree from core import CCP4Utils import sys, os, shutil pipelineXMLStructure = etree.Element("ZZPipelineNameZZ") for iPlugin, ZZFirstPluginNameZZPlugin in enumerate(self.ZZFirstPluginNameZZPlugins): out = self.container.outputData #Copy output XYZs out.XYZOUT_LIST.append(out.XYZOUT_LIST.makeItem()) out.XYZOUT_LIST[-1].setFullPath(os.path.join(self.getWorkDirectory(),"XYZOUT_"+str(iPlugin)+".pdb")) shutil.copyfile(ZZFirstPluginNameZZPlugin.container.outputData.XYZOUT.fullPath.__str__(), out.XYZOUT_LIST[-1].fullPath.__str__()) #Copy output 2FoFcs out.FPHIOUT_LIST.append(out.FPHIOUT_LIST.makeItem()) out.FPHIOUT_LIST[-1].setFullPath(os.path.join(self.getWorkDirectory(),"FPHIOUT_"+str(iPlugin)+".mtz")) shutil.copyfile(ZZFirstPluginNameZZPlugin.container.outputData.FPHIOUT.fullPath.__str__(), out.FPHIOUT_LIST[-1].fullPath.__str__()) #Copy output FoFcs out.DIFFPHIOUT_LIST.append(out.DIFFPHIOUT_LIST.makeItem()) out.DIFFPHIOUT_LIST[-1].setFullPath(os.path.join(self.getWorkDirectory(),"DIFFPHIOUT_"+str(iPlugin)+".mtz")) shutil.copyfile(ZZFirstPluginNameZZPlugin.container.outputData.DIFFPHIOUT.fullPath.__str__(), out.DIFFPHIOUT_LIST[-1].fullPath.__str__()) #Catenate output XMLs pluginXMLStructure = CCP4Utils.openFileToEtree(ZZFirstPluginNameZZPlugin.makeFileName("PROGRAMXML")) cycleElement = etree.SubElement(pluginXMLStructure,"Cycle") cycleElement.text = str(iPlugin) pipelineXMLStructure.append(pluginXMLStructure) with open(self.makeFileName("PROGRAMXML"),"w") as pipelineXMLFile: pipelineXMLFile.write(etree.tostring(pipelineXMLStructure)) return CPluginScript.SUCCEEDED