diff --git a/parser/parser-dl_poly/dlPolyParser.py b/parser/parser-dl_poly/dlPolyParser.py index 7f45b5e36e88c7d151841433b50b1c82e94cbb83..93cec5ac18a0edc8bf796a7e0df685ee25c6b440 100644 --- a/parser/parser-dl_poly/dlPolyParser.py +++ b/parser/parser-dl_poly/dlPolyParser.py @@ -54,15 +54,16 @@ def parse(output_file_name): jbe = JsonParseEventsWriterBackend(meta_info_env) jbe.startedParsingSession(output_file_name, parser_info) + base_dir = os.path.dirname(os.path.abspath(output_file_name)) # PARSE CONTROLS ... - ctrl_file_name = 'CONTROL' + ctrl_file_name = os.path.join(base_dir, 'CONTROL') terminal_ctrls = DlPolyControls(osio) terminal_ctrls.ParseControls(ctrl_file_name) # PARSE OUTPUT / TOPOLOGY ... terminal = DlPolyParser(osio) terminal.ParseOutput(output_file_name) # PARSE TRAJECTORY ... - cfg_file_name = 'CONFIG' + cfg_file_name = os.path.join(base_dir, 'CONFIG') terminal_trj = DlPolyConfig(osio) terminal_trj.ParseConfig(cfg_file_name) # SUMMARIZE KEY-TABLE DEFAULTS ... diff --git a/src/main/scala/eu/nomad_lab/parsers/DlPolyParser.scala b/src/main/scala/eu/nomad_lab/parsers/DlPolyParser.scala index 69e30450a0f7e57568a55cd3f175dbabded75fbd..61d65af0471a7bb39a0ee5fe88603f817d04b630 100644 --- a/src/main/scala/eu/nomad_lab/parsers/DlPolyParser.scala +++ b/src/main/scala/eu/nomad_lab/parsers/DlPolyParser.scala @@ -21,7 +21,7 @@ object DlPolyParser extends SimpleExternalParserGenerator( mainFileTypes = Seq("text/.*"), mainFileRe = """ DL_POLY """.r, cmd = Seq(DefaultPythonInterpreter.python2Exe(), "${envDir}/parsers/dl_poly/parser/parser-dl_poly/dlPolyParser.py", - "--uri", "${mainFileUri}", "${mainFilePath}"), + "${mainFilePath}"), resList = Seq( "parser-dl_poly/dlPolyParser.py", "parser-dl_poly/libDlPolyParser.py",