from CCP4PluginScript import CInternalPlugin,CPluginScript
from PyQt4 import QtCore
import os,glob,re,time,sys
import CCP4XtalData
from lxml import etree
import math
import CCP4Modules,CCP4Utils

class lidia(CPluginScript):
    TASKMODULE = 'wrappers'                               # Where this plugin will appear on the gui
    TASKTITLE = 'Lidia'     # A short title for gui menu
    DESCRIPTION = 'Sketch a ligand'
    TASKNAME = 'Lidia'                                  # Task name - should be same as class name
    TASKCOMMAND = 'lidia'                                     # The command to run the executable
    TASKVERSION= 0.0                                     # Version of this plugin
    ASYNCHRONOUS = True
    TIMEOUT_PERIOD = 9999999.9
    #WHATNEXT = ['coot_rebuild','parrot','buccaneer_build_refine_mr']
    RUNEXTERNALPROCESS=False
    MAINTAINER = 'martin.noble@newcastle.ac.uk'

    ERROR_CODES = {  200 : { 'description' : 'Failed to add item to mol list' },201 : { 'description' : 'Failed to setFullPath' },}
    
    def startProcess(self, command, **kw):
        cootExeDir = None
        if hasattr(CCP4Modules.PREFERENCES(),'COOT_EXECUTABLE'):
            if os.path.isfile(str(CCP4Modules.PREFERENCES().COOT_EXECUTABLE)):
                cootExeDir = str(CCP4Modules.PREFERENCES().COOT_EXECUTABLE)
        if cootExeDir is None:
            import CCP4Utils
            cootExeDir = CCP4Utils.which('coot')
        cootDir = os.path.normpath(os.path.dirname(os.path.dirname(cootExeDir)))
        envEdit = [['COOT_PREFIX',cootDir]]
        COOT_DATA_DIR =os.path.normpath(os.path.join(cootDir,'share','coot'))
        envEdit.append(['COOT_DATA_DIR',COOT_DATA_DIR])
        envEdit.append(['PWD',os.path.normpath(self.getWorkDirectory())])
        if sys.platform.startswith('linux'):
            envEdit.append(['PATH',os.path.join(os.environ["CCP4"],"libexec")])
        argList = []
        if self.container.inputData.MOLIN.isSet():
            argList.append(self.container.inputData.MOLIN.__str__())
        CCP4Modules.LAUNCHER().launch(viewer='lidia', argList = argList, callBack = self.handleFinished, envEdit=envEdit,logFile = self.makeFileName('LOG'))
        return CPluginScript.SUCCEEDED

    def handleFinished(self):
        from lxml import etree
        rootNode = etree.Element('Lidia')
        #This is looking forward to a position where more things might work
        globPath = os.path.normpath(os.path.join(self.getWorkDirectory(),'prodrg-in.mdl'))
        outList = glob.glob(globPath)
        moloutList = self.container.outputData.MOLOUT_LIST
        for outputMOL in outList:
            fpath,fname = os.path.split(outputMOL)
            try:
                moloutList.append(moloutList.makeItem())
            except:
                self.appendErrorReport(200)
                self.reportStatus(CPluginScript.FAILED)
            try:
                moloutList[-1].setFullPath(outputMOL)
            except:
                self.appendErrorReport(201)
                self.reportStatus(CPluginScript.FAILED)
            moloutList[-1].annotation = "Lidia output file "+fname
            moloutList[-1].subType = 1
            
            with open (os.path.normpath(outputMOL),'r') as molFile:
                molText = molFile.read()
                molNode = etree.SubElement(rootNode,'MOLDATA')
                molNode.text = etree.CDATA(molText)
            svgNode = etree.SubElement(rootNode,'SVGNode')
            
            svgNode.append(self.svgForMolFile(outputMOL))
    
        with open(self.makeFileName('PROGRAMXML'),'w') as programXML:
            programXML.write(etree.tostring(rootNode,pretty_print=True))
        
        self.reportStatus(CPluginScript.SUCCEEDED)

    def svgForMolFile(self, molFilePath):
        try:
            from rdkit import Chem
            mol = Chem.MolFromMolFile(molFilePath)
            Chem.SanitizeMol(mol)
            Chem.Kekulize(mol)
            import acedrg
            return acedrg.svgFromMol(mol)
        except:
            return self.mySvgForMolFile(molFilePath)

    def mySvgForMolFile(self, molFilePath):
        import MOLSVG
        mdlMolecule = MOLSVG.MDLMolecule(molFilePath)
        return mdlMolecule.svgXML(size=(300,300))