libAtoms init.

parser/parser-lib-atoms/setup_paths.py

+import sys, os, os.path
+baseDir = os.path.dirname(os.path.abspath(__file__))
+commonDir = os.path.normpath(os.path.join(baseDir,"../../../../python-common/common/python"))
+
+if not commonDir in sys.path:
+    sys.path.insert(0, commonDir)

src/main/scala/eu/nomad_lab/parsers/LibAtomsParser.scala

+package eu.nomad_lab.parsers
+
+import eu.{ nomad_lab => lab }
+import eu.nomad_lab.DefaultPythonInterpreter
+import org.{ json4s => jn }
+import scala.collection.breakOut
+
+object LibAtomsParser extends SimpleExternalParserGenerator(
+  name = "LibAtomsParser",
+  parserInfo = jn.JObject(
+    ("name" -> jn.JString("LibAtomsParser")) ::
+      ("parserId" -> jn.JString("LibAtomsParser" + lab.LibAtomsVersionInfo.version)) ::
+      ("versionInfo" -> jn.JObject(
+        ("nomadCoreVersion" -> jn.JObject(lab.NomadCoreVersionInfo.toMap.map {
+          case (k, v) => k -> jn.JString(v.toString)
+        }(breakOut): List[(String, jn.JString)])) ::
+          (lab.LibAtomsVersionInfo.toMap.map {
+            case (key, value) =>
+              (key -> jn.JString(value.toString))
+          }(breakOut): List[(String, jn.JString)])
+      )) :: Nil
+  ),
+  mainFileTypes = Seq("text/.*"),
+  mainFileRe = """ ???? """.r,
+  cmd = Seq(DefaultPythonInterpreter.pythonExe(), "${envDir}/parsers/lib-atoms/parser/parser-lib-atoms/libAtomsParser.py",
+    "${mainFilePath}"),
+  resList = Seq(
+    "parser-lib-atoms/libAtomsParser.py",
+    "parser-lib-atoms/libLibAtomsParser.py",
+    "parser-lib-atoms/libMomo.py",
+    "parser-lib-atoms/setup_paths.py",
+    "nomad_meta_info/public.nomadmetainfo.json",
+    "nomad_meta_info/common.nomadmetainfo.json",
+    "nomad_meta_info/meta_types.nomadmetainfo.json",
+    "nomad_meta_info/lib_atoms.nomadmetainfo.json"
+  ) ++ DefaultPythonInterpreter.commonFiles(),
+  dirMap = Map(
+    "parser-lib-atoms" -> "parsers/lib-atoms/parser/parser-lib-atoms",
+    "nomad_meta_info" -> "nomad-meta-info/meta_info/nomad_meta_info"
+  ) ++ DefaultPythonInterpreter.commonDirMapping()
+)

src/test/scala/eu/nomad_lab/parsers/LibAtomsParserSpec.scala

+package eu.nomad_lab.parsers
+
+import org.specs2.mutable.Specification
+
+object LibAtomsParserSpec extends Specification {
+  "LibAtomsParserTest" >> {
+    "test with json-events" >> {
+      ParserRun.parse(LibAtomsParser, "parsers/lib-atoms/test/lib-atoms-tungsten/tungsten_gap_6.xyz", "json-events") must_== ParseResult.ParseSuccess
+    }
+    "test with json" >> {
+      ParserRun.parse(LibAtomsParser, "parsers/lib-atoms/test/lib-atoms-tungsten/tungsten_gap_6.xyz", "json") must_== ParseResult.ParseSuccess
+    }
+  }
+}