diff --git a/src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala b/src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala index 8dc4ac7568c3b48ead8efd60d942d13d0a846957..5ba7ddbd61cf4284d9c0c69f495f07ec1a7f4ac5 100644 --- a/src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala +++ b/src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala @@ -8,12 +8,13 @@ object GaussianParser extends SimpleExternalParserGenerator( ("name" -> jn.JString("GaussianParser")) :: ("version" -> jn.JString("1.0")) :: Nil), mainFileTypes = Seq("text/.*"), - mainFileRe = """\s*Invoking Gaussian \.\.\. -\s*Version """.r, + mainFileRe = """\s*Gaussian, Inc\. All Rights Reserved\.\s* +\s* +\s*This is part of the Gaussian\(R\) [0-9]* program.""".r, cmd = Seq(DefaultPythonInterpreter.python2Exe(), "${envDir}/parsers/gaussian/parser/parser-gaussian/parser_gaussian.py", "--uri", "${mainFileUri}", "${mainFilePath}"), resList = Seq( - "parser-gaussian/GaussianParser.py", + "parser-gaussian/parser_gaussian.py", "parser-gaussian/setup_paths.py", "nomad_meta_info/common.nomadmetainfo.json", "nomad_meta_info/meta_types.nomadmetainfo.json", diff --git a/src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala b/src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala new file mode 100644 index 0000000000000000000000000000000000000000..502b65a2a175ada250685771c904b99d0265c6ea --- /dev/null +++ b/src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala @@ -0,0 +1,15 @@ +package eu.nomad_lab.parsers + +import eu.nomad_lab.{parsers, DefaultPythonInterpreter} +import org.scalacheck.Properties +import org.specs2.mutable.Specification +import org.{json4s => jn} + + +object GaussianParserSpec extends Specification { + "GaussianParserTest" >> { + examplesBlock { + ParserRun.parse(GaussianParser,"/home/kariryaa/NoMad/nomad-lab-base/parsers/gaussian/test/examples/Al.out","") must_== ParseResult.ParseSuccess + } + } +}