import logging import os PARSERNAME = "NAMD" PROGRAMNAME = "namd" PARSERVERSION = "0.0.1" PARSERMETANAME = PARSERNAME.lower() PARSERTAG = 'x_' + PARSERMETANAME PARSER_INFO_DEFAULT = { 'name' : PARSERMETANAME+'-parser', 'version': PARSERVERSION } META_INFO_PATH = os.path.normpath(os.path.join( os.path.dirname(os.path.abspath(__file__)), "../../../../nomad-meta-info/meta_info/nomad_meta_info/"+PARSERMETANAME+".nomadmetainfo.json")) LOGGER = logging.getLogger("nomad."+PROGRAMNAME+"Parser") def set_excludeList(self): """Sets the exclude list for x_ Returns: the list of names """ excludelist = [ PARSERTAG+'_mdin_verbatim_writeout', PARSERTAG+'_dumm_text', PARSERTAG+'_dummy', PARSERTAG+'_mdin_wt' ] excludelist.extend([PARSERTAG+'_mdin_file_%s' % fileNL.lower() for fileNL in self.fileDict.keys()]) excludelist.extend([PARSERTAG+'_mdin_%s' % cntrlNL.lower() for cntrlNL in self.cntrlDict.keys()]) excludelist.extend([PARSERTAG+'_mdin_%s' % ewaldNL.lower() for ewaldNL in self.ewaldDict.keys()]) excludelist.extend([PARSERTAG+'_mdin_%s' % qmmmNL.lower() for qmmmNL in self.qmmmDict.keys()]) return excludelist def set_includeList(): """Sets the include list for x_ Returns: the list of names """ includelist = [] return includelist